Tricarboxylic acids and derivatives

Organic compounds that contain three carboxyl groups; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from tricarboxylic acids.

CAS: 77-94-1 Molecular Formula: C18H32O7 Molecular Weight (g/mol): 360.45 MDL Number: MFCD00027217 InChI Key: ZFOZVQLOBQUTQQ-UHFFFAOYSA-N Synonym: tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester PubChem CID: 6507 IUPAC Name: tributyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC

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Specifications

PubChem CID	6507
CAS	77-94-1
Molecular Weight (g/mol)	360.45
MDL Number	MFCD00027217
SMILES	CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
Synonym	tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester
IUPAC Name	tributyl 2-hydroxypropane-1,2,3-tricarboxylate
InChI Key	ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
Molecular Formula	C18H32O7

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Triethyl citrate, 99%

CAS: 77-93-0 Molecular Formula: C₁₂H₂₀O₇ Molecular Weight (g/mol): 276.29 InChI Key: DOOTYTYQINUNNV-UHFFFAOYSA-N Synonym: triethyl citrate,ethyl citrate,citroflex 2,eudraflex,hydragen cat,citric acid, triethyl ester,triaethylcitrat,triethylcitrate,citric acid triethyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, triethyl ester PubChem CID: 6506 IUPAC Name: triethyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O

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Specifications

PubChem CID	6506
CAS	77-93-0
Molecular Weight (g/mol)	276.29
SMILES	CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O
Synonym	triethyl citrate,ethyl citrate,citroflex 2,eudraflex,hydragen cat,citric acid, triethyl ester,triaethylcitrat,triethylcitrate,citric acid triethyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, triethyl ester
IUPAC Name	triethyl 2-hydroxypropane-1,2,3-tricarboxylate
InChI Key	DOOTYTYQINUNNV-UHFFFAOYSA-N
Molecular Formula	C₁₂H₂₀O₇

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DL-Isocitric acid, trisodium salt hydrate, 95%

CAS: 1637-73-6 Molecular Formula: C6H5Na3O7 Molecular Weight (g/mol): 258.07 MDL Number: MFCD00149284 InChI Key: HWMVXEKEEAIYGB-UHFFFAOYNA-K Synonym: dl-isocitric acid,isocitric acid trisodium salt,sodium isocitrate,dl-isocitric acid trisodium salt hydrate,dl-isocitric acid trisodium salt,trisodium 1-hydroxypropane-1,2,3-tricarboxylate,trisodium isocitrate,tripotassium isocitrate,isocitric acid, dl,dl-isocitric acid, trisodium salt hydrate PubChem CID: 168942 IUPAC Name: trisodium;1-hydroxypropane-1,2,3-tricarboxylate SMILES: [Na+].[Na+].[Na+].OC(C(CC([O-])=O)C([O-])=O)C([O-])=O

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Specifications

PubChem CID	168942
CAS	1637-73-6
Molecular Weight (g/mol)	258.07
MDL Number	MFCD00149284
SMILES	[Na+].[Na+].[Na+].OC(C(CC([O-])=O)C([O-])=O)C([O-])=O
Synonym	dl-isocitric acid,isocitric acid trisodium salt,sodium isocitrate,dl-isocitric acid trisodium salt hydrate,dl-isocitric acid trisodium salt,trisodium 1-hydroxypropane-1,2,3-tricarboxylate,trisodium isocitrate,tripotassium isocitrate,isocitric acid, dl,dl-isocitric acid, trisodium salt hydrate
IUPAC Name	trisodium;1-hydroxypropane-1,2,3-tricarboxylate
InChI Key	HWMVXEKEEAIYGB-UHFFFAOYNA-K
Molecular Formula	C6H5Na3O7

1,3,5-Benzenetricarboxylic acid, 98%

CAS: 554-95-0 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.14 MDL Number: MFCD00002517 InChI Key: QMKYBPDZANOJGF-UHFFFAOYSA-N Synonym: trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 PubChem CID: 11138 ChEBI: CHEBI:46032 IUPAC Name: benzene-1,3,5-tricarboxylic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O

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Specifications

PubChem CID	11138
CAS	554-95-0
Molecular Weight (g/mol)	210.14
ChEBI	CHEBI:46032
MDL Number	MFCD00002517
SMILES	OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
Synonym	trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562
IUPAC Name	benzene-1,3,5-tricarboxylic acid
InChI Key	QMKYBPDZANOJGF-UHFFFAOYSA-N
Molecular Formula	C9H6O6

Citric acid, trisodium salt, 98%, pure, anhydrous

CAS: 68-04-2 Molecular Formula: C6H5Na3O7 Molecular Weight (g/mol): 258.07 MDL Number: MFCD00012462 InChI Key: HRXKRNGNAMMEHJ-UHFFFAOYSA-K Synonym: sodium citrate,trisodium citrate,citrosodine,sodium citrate anhydrous,citrosodina,natrocitral,citnatin,citreme,citrosodna,trisodium citrate, anhydrous PubChem CID: 6224 ChEBI: CHEBI:53258 IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate SMILES: [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O

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Specifications

PubChem CID	6224
CAS	68-04-2
Molecular Weight (g/mol)	258.07
ChEBI	CHEBI:53258
MDL Number	MFCD00012462
SMILES	[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
Synonym	sodium citrate,trisodium citrate,citrosodine,sodium citrate anhydrous,citrosodina,natrocitral,citnatin,citreme,citrosodna,trisodium citrate, anhydrous
IUPAC Name	trisodium;2-hydroxypropane-1,2,3-tricarboxylate
InChI Key	HRXKRNGNAMMEHJ-UHFFFAOYSA-K
Molecular Formula	C6H5Na3O7

Trimethylolpropane triacrylate, stabilized

CAS: 15625-89-5 Molecular Formula: C15H20O6 Molecular Weight (g/mol): 296.32 MDL Number: MFCD00008628 InChI Key: DAKWPKUUDNSNPN-UHFFFAOYSA-N Synonym: trimethylolpropane triacrylate,tmpta,viscoat 295,nk ester a tmpt,sartomer sr 351,ogumont t 200,saret 351,setalux uv 2241,ccris 92,unii-4b67kgl96s PubChem CID: 27423 ChEBI: CHEBI:35028 IUPAC Name: 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate SMILES: CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C

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Specifications

PubChem CID	27423
CAS	15625-89-5
Molecular Weight (g/mol)	296.32
ChEBI	CHEBI:35028
MDL Number	MFCD00008628
SMILES	CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
Synonym	trimethylolpropane triacrylate,tmpta,viscoat 295,nk ester a tmpt,sartomer sr 351,ogumont t 200,saret 351,setalux uv 2241,ccris 92,unii-4b67kgl96s
IUPAC Name	2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate
InChI Key	DAKWPKUUDNSNPN-UHFFFAOYSA-N
Molecular Formula	C15H20O6

Tris(2-carboxyethyl)phosphine hydrochloride, 95%, 0.5M soln. in water

CAS: 51805-45-9 Molecular Formula: C9H12O6P Molecular Weight (g/mol): 247.16 MDL Number: MFCD00145469 InChI Key: PZBFGYYEXUXCOF-UHFFFAOYSA-K Synonym: tris 2-carboxyethyl phosphine hydrochloride,tcep hcl,tcep hydrochloride,3,3',3-phosphinetriyltripropanoic acid hydrochloride,tcep,unii-h49aam893k,tris carboxyethyl phosphine hydrochloride,tris-2-carboxyethyl phosphine hydrochloride,tris 2-carboxyethyl phosphine hcl,3,3',3-phosphinetriyltripropanoicacidhydrochloride PubChem CID: 2734570 IUPAC Name: 3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hydrochloride SMILES: [O-]C(=O)CCP(CCC([O-])=O)CCC([O-])=O

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Specifications

PubChem CID	2734570
CAS	51805-45-9
Molecular Weight (g/mol)	247.16
MDL Number	MFCD00145469
SMILES	[O-]C(=O)CCP(CCC([O-])=O)CCC([O-])=O
Synonym	tris 2-carboxyethyl phosphine hydrochloride,tcep hcl,tcep hydrochloride,3,3',3-phosphinetriyltripropanoic acid hydrochloride,tcep,unii-h49aam893k,tris carboxyethyl phosphine hydrochloride,tris-2-carboxyethyl phosphine hydrochloride,tris 2-carboxyethyl phosphine hcl,3,3',3-phosphinetriyltripropanoicacidhydrochloride
IUPAC Name	3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hydrochloride
InChI Key	PZBFGYYEXUXCOF-UHFFFAOYSA-K
Molecular Formula	C9H12O6P

Ammonium citrate tribasic, 97+%

CAS: 3458-72-8 Molecular Formula: C6H20N3O7+3 Molecular Weight (g/mol): 246.24 MDL Number: MFCD00036406 InChI Key: YWYZEGXAUVWDED-UHFFFAOYSA-Q Synonym: ammonium citrate PubChem CID: 131675891 IUPAC Name: azane;[3-carboxy-1,3-dihydroxy-4-[oxonio(oxoniumylidene)methyl]butylidene]oxidanium SMILES: C(C(=[OH+])[OH2+])C(CC(=[OH+])O)(C(=O)O)O.N.N.N

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Specifications

PubChem CID	131675891
CAS	3458-72-8
Molecular Weight (g/mol)	246.24
MDL Number	MFCD00036406
SMILES	C(C(=[OH+])[OH2+])C(CC(=[OH+])O)(C(=O)O)O.N.N.N
Synonym	ammonium citrate
IUPAC Name	azane;[3-carboxy-1,3-dihydroxy-4-[oxonio(oxoniumylidene)methyl]butylidene]oxidanium
InChI Key	YWYZEGXAUVWDED-UHFFFAOYSA-Q
Molecular Formula	C6H20N3O7+3

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Tricarballylic acid, 99%

CAS: 99-14-9 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00002723 InChI Key: KQTIIICEAUMSDG-UHFFFAOYSA-N Synonym: tricarballylic acid,1,2,3-propanetricarboxylic acid,carballylic acid,tricarballylate,beta-carboxyglutaric acid,propane 1,2,3-tricarboxylic acid,unii-ra5qh2j020,3-carboxyglutaric acid,.beta.-carboxyglutaric acid,1,2,3-propanetricarboxylicacid PubChem CID: 14925 ChEBI: CHEBI:45969 IUPAC Name: propane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(CC(O)=O)C(O)=O

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Specifications

PubChem CID	14925
CAS	99-14-9
Molecular Weight (g/mol)	176.12
ChEBI	CHEBI:45969
MDL Number	MFCD00002723
SMILES	OC(=O)CC(CC(O)=O)C(O)=O
Synonym	tricarballylic acid,1,2,3-propanetricarboxylic acid,carballylic acid,tricarballylate,beta-carboxyglutaric acid,propane 1,2,3-tricarboxylic acid,unii-ra5qh2j020,3-carboxyglutaric acid,.beta.-carboxyglutaric acid,1,2,3-propanetricarboxylicacid
IUPAC Name	propane-1,2,3-tricarboxylic acid
InChI Key	KQTIIICEAUMSDG-UHFFFAOYSA-N
Molecular Formula	C6H8O6

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Citric acid monohydrate, 99+%, ACS reagent

CAS: 5949-29-1 Molecular Formula: C₆H₈O₇·H₂O Molecular Weight (g/mol): 210.15 InChI Key: YASYEJJMZJALEJ-UHFFFAOYSA-N Synonym: citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp PubChem CID: 22230 ChEBI: CHEBI:31404 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

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Specifications

PubChem CID	22230
CAS	5949-29-1
Molecular Weight (g/mol)	210.15
ChEBI	CHEBI:31404
SMILES	C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
Synonym	citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp
IUPAC Name	2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
InChI Key	YASYEJJMZJALEJ-UHFFFAOYSA-N
Molecular Formula	C₆H₈O₇·H₂O

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Citric acid monohydrate, technical, crystalline

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PubChem CID	6507
CAS	77-94-1
Molecular Weight (g/mol)	360.45
MDL Number	MFCD00027217
SMILES	CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
Synonym	tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester
IUPAC Name	tributyl 2-hydroxypropane-1,2,3-tricarboxylate
InChI Key	ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
Molecular Formula	C18H32O7

Thermo Scientific Chemicals Tamoxifen citrate, 98%

CAS: 54965-24-1 Molecular Formula: C32H37NO8 Molecular Weight (g/mol): 563.65 MDL Number: MFCD00058321 InChI Key: FQZYTYWMLGAPFJ-OQKDUQJOSA-N Synonym: tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen PubChem CID: 2733525 ChEBI: CHEBI:9397 IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2733525
CAS	54965-24-1
Molecular Weight (g/mol)	563.65
ChEBI	CHEBI:9397
MDL Number	MFCD00058321
SMILES	OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
Synonym	tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen
IUPAC Name	2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
InChI Key	FQZYTYWMLGAPFJ-OQKDUQJOSA-N
Molecular Formula	C32H37NO8

Trimethyl citrate

Molecular Formula: C₉H₁₄O₇ Molecular Weight (g/mol): 234.2 InChI Key: HDDLVZWGOPWKFW-UHFFFAOYSA-N PubChem CID: 74112

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Specifications

PubChem CID	74112
Molecular Weight (g/mol)	234.2
InChI Key	HDDLVZWGOPWKFW-UHFFFAOYSA-N
Molecular Formula	C₉H₁₄O₇

3,4,6-Tri-O-benzoyl-D-glucal, 97%

CAS: 13322-90-2 Molecular Formula: C27H22O7 Molecular Weight (g/mol): 458.466 MDL Number: MFCD00061643 InChI Key: OZFFEFRJEYIEGH-SMIHKQSGSA-N Synonym: 3,4,6-tri-o-benzoyl-d-glucal,tri-o-benzoyl-d-glucal,1,2-dideoxy-d-arabino-1-hexenopyranose 3,4,6-tribenzoate,2r,3s,4r-3,4-bis benzoyloxy-3,4-dihydro-2h-pyran-2-yl methyl benzoate PubChem CID: 11134283 IUPAC Name: [(2R,3S,4R)-3,4-dibenzoyloxy-3,4-dihydro-2H-pyran-2-yl]methyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C=CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

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Specifications

PubChem CID	11134283
CAS	13322-90-2
Molecular Weight (g/mol)	458.466
MDL Number	MFCD00061643
SMILES	C1=CC=C(C=C1)C(=O)OCC2C(C(C=CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Synonym	3,4,6-tri-o-benzoyl-d-glucal,tri-o-benzoyl-d-glucal,1,2-dideoxy-d-arabino-1-hexenopyranose 3,4,6-tribenzoate,2r,3s,4r-3,4-bis benzoyloxy-3,4-dihydro-2h-pyran-2-yl methyl benzoate
IUPAC Name	[(2R,3S,4R)-3,4-dibenzoyloxy-3,4-dihydro-2H-pyran-2-yl]methyl benzoate
InChI Key	OZFFEFRJEYIEGH-SMIHKQSGSA-N
Molecular Formula	C27H22O7

Tricarboxylic acids and derivatives

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