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Benzamides

Aromatic organic compounds that consists of a benzene ring substituted by an amide functional group. Includes benzamides with additional substitutions.

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Hippuric acid, 98%

CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.18 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure PubChem CID: 464 ChEBI: CHEBI:18089 SMILES: OC(=O)CNC(=O)C1=CC=CC=C1

PubChem CID 464
CAS 495-69-2
Molecular Weight (g/mol) 179.18
ChEBI CHEBI:18089
MDL Number MFCD00002692
SMILES OC(=O)CNC(=O)C1=CC=CC=C1
Synonym hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure
InChI Key QIAFMBKCNZACKA-UHFFFAOYSA-N
Molecular Formula C9H9NO3
2
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2-Hydroxyhippuric acid, 95%

CAS: 487-54-7 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00002695 InChI Key: ONJSZLXSECQROL-UHFFFAOYSA-N Synonym: salicyluric acid,2-hydroxyhippuric acid,salicylurate,o-hydroxyhippuric acid,n-salicyloylglycine,salicyloylglycine,n-2-hydroxybenzoyl glycine,glycine, n-2-hydroxybenzoyl,2-2-hydroxybenzamido acetic acid,n-o-hydroxybenzoylglycine PubChem CID: 10253 ChEBI: CHEBI:9008 IUPAC Name: 2-[(2-hydroxybenzoyl)amino]acetic acid SMILES: OC(=O)CNC(=O)C1=CC=CC=C1O

PubChem CID 10253
CAS 487-54-7
Molecular Weight (g/mol) 195.17
ChEBI CHEBI:9008
MDL Number MFCD00002695
SMILES OC(=O)CNC(=O)C1=CC=CC=C1O
Synonym salicyluric acid,2-hydroxyhippuric acid,salicylurate,o-hydroxyhippuric acid,n-salicyloylglycine,salicyloylglycine,n-2-hydroxybenzoyl glycine,glycine, n-2-hydroxybenzoyl,2-2-hydroxybenzamido acetic acid,n-o-hydroxybenzoylglycine
IUPAC Name 2-[(2-hydroxybenzoyl)amino]acetic acid
InChI Key ONJSZLXSECQROL-UHFFFAOYSA-N
Molecular Formula C9H9NO4
3

Hippuric acid, 98%

CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.18 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure PubChem CID: 464 ChEBI: CHEBI:18089 IUPAC Name: 2-benzamidoacetic acid SMILES: OC(=O)CNC(=O)C1=CC=CC=C1

PubChem CID 464
CAS 495-69-2
Molecular Weight (g/mol) 179.18
ChEBI CHEBI:18089
MDL Number MFCD00002692
SMILES OC(=O)CNC(=O)C1=CC=CC=C1
Synonym hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure
IUPAC Name 2-benzamidoacetic acid
InChI Key QIAFMBKCNZACKA-UHFFFAOYSA-N
Molecular Formula C9H9NO3
4

4-Aminohippuric acid, 99%

CAS: 61-78-9 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00007890 InChI Key: HSMNQINEKMPTIC-UHFFFAOYSA-N Synonym: 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine PubChem CID: 2148 ChEBI: CHEBI:104011 IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N

PubChem CID 2148
CAS 61-78-9
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:104011
MDL Number MFCD00007890
SMILES C1=CC(=CC=C1C(=O)NCC(=O)O)N
Synonym 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine
IUPAC Name 2-[(4-aminobenzoyl)amino]acetic acid
InChI Key HSMNQINEKMPTIC-UHFFFAOYSA-N
5

Folic acid dihydrate, 97%

CAS: 75708-92-8 Molecular Formula: C19H23N7O8 Molecular Weight (g/mol): 477.434 MDL Number: MFCD00079305 InChI Key: ODYNNYOEHBJUQP-LTCKWSDVSA-N Synonym: folic acid dihydrate,unii-0s1t5c0jzl,0s1t5c0jzl,pubchem18447,l-glutamic acid, n-4-2-amino-1,4-dihydro-4-oxo-6-pteridinyl methyl amino benzoyl-, dihydrate,l-glutamic acid, n-4-2-amino-3,4-dihydro-4-oxo-6-pteridinyl methyl amino benzoyl-, hydrate 1:2,folicacid,vitaminmorvitaminbc,vitaminm,pteglu,2s-2-4-2-amino-4-hydroxypteridin-6-yl methyl amino phenyl formamido pentanedioic acid dihydrate,s-2-4-2-amino-4-oxo-3,4-dihydropteridin-6-yl methyl amino benzamido pentanedioic acid dihydrate PubChem CID: 16211651 IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;dihydrate SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.O.O

PubChem CID 16211651
CAS 75708-92-8
Molecular Weight (g/mol) 477.434
MDL Number MFCD00079305
SMILES C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.O.O
Synonym folic acid dihydrate,unii-0s1t5c0jzl,0s1t5c0jzl,pubchem18447,l-glutamic acid, n-4-2-amino-1,4-dihydro-4-oxo-6-pteridinyl methyl amino benzoyl-, dihydrate,l-glutamic acid, n-4-2-amino-3,4-dihydro-4-oxo-6-pteridinyl methyl amino benzoyl-, hydrate 1:2,folicacid,vitaminmorvitaminbc,vitaminm,pteglu,2s-2-4-2-amino-4-hydroxypteridin-6-yl methyl amino phenyl formamido pentanedioic acid dihydrate,s-2-4-2-amino-4-oxo-3,4-dihydropteridin-6-yl methyl amino benzamido pentanedioic acid dihydrate
IUPAC Name (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;dihydrate
InChI Key ODYNNYOEHBJUQP-LTCKWSDVSA-N
Molecular Formula C19H23N7O8
6

N-Methylhippuric acid, 99%, Thermo Scientific™

CAS: 2568-34-5 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.20 MDL Number: MFCD00144940 InChI Key: PKCSYDDSNIJRIX-UHFFFAOYSA-N Synonym: benzoylsarcosine,n-methylhippuric acid,n-benzoyl-n-methylglycine,n-benzoylsarcosine,glycine, n-benzoyl-n-methyl,2-n-methylbenzamido acetic acid,sarcosine, n-benzoyl,2-benzoyl methyl amino acetic acid,chembl66391,2-n-methyl-1-phenylformamido acetic acid PubChem CID: 75728 IUPAC Name: 2-[benzoyl(methyl)amino]acetic acid SMILES: CN(CC(O)=O)C(=O)C1=CC=CC=C1

PubChem CID 75728
CAS 2568-34-5
Molecular Weight (g/mol) 193.20
MDL Number MFCD00144940
SMILES CN(CC(O)=O)C(=O)C1=CC=CC=C1
Synonym benzoylsarcosine,n-methylhippuric acid,n-benzoyl-n-methylglycine,n-benzoylsarcosine,glycine, n-benzoyl-n-methyl,2-n-methylbenzamido acetic acid,sarcosine, n-benzoyl,2-benzoyl methyl amino acetic acid,chembl66391,2-n-methyl-1-phenylformamido acetic acid
IUPAC Name 2-[benzoyl(methyl)amino]acetic acid
InChI Key PKCSYDDSNIJRIX-UHFFFAOYSA-N
Molecular Formula C10H11NO3
7
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Folinic acid, calcium salt pentahydrate, 95.0-105.0%

CAS: 6035-45-6 Molecular Formula: C20H21CaN7O7·5H2O Molecular Weight (g/mol): 601.58 MDL Number: MFCD00149465 InChI Key: NPPBLUASYYNAIG-UHFFFAOYSA-L Synonym: folinic acid calcium pentahydrate PubChem CID: 131674093 IUPAC Name: calcium;4-[[4-[(2-amino-5-formyl-4-oxido-7,8-dihydro-6H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate;pentahydrate SMILES: C1C(N(C2=C(N1)N=C(N=C2[O-])N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O.O.O.O.O.O.[Ca+2]

PubChem CID 131674093
CAS 6035-45-6
Molecular Weight (g/mol) 601.58
MDL Number MFCD00149465
SMILES C1C(N(C2=C(N1)N=C(N=C2[O-])N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O.O.O.O.O.O.[Ca+2]
Synonym folinic acid calcium pentahydrate
IUPAC Name calcium;4-[[4-[(2-amino-5-formyl-4-oxido-7,8-dihydro-6H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate;pentahydrate
InChI Key NPPBLUASYYNAIG-UHFFFAOYSA-L
Molecular Formula C20H21CaN7O7·5H2O
8

5-[[Amino(imino)methyl]amino]-2-(benzoylamino)pentanoic acid, 97%, Thermo Scientific™

CAS: 6453-58-3 Molecular Formula: C13H18N4O3 Molecular Weight (g/mol): 278.312 MDL Number: MFCD00063011 InChI Key: RSYYQCDERUOEFI-UHFFFAOYSA-N Synonym: 5-amino imino methyl amino-2-benzoylamino pentanoic acid,5-carbamimidamido-2-phenylformamido pentanoic acid,n2-benzoylarginine,l-arginine, n2-benzoyl,benzoyl-dl-arginine,n-?-benzoyl-l-arginine,2-benzamido-5-guanidinopentanoic acid,2-benzoylamino-5-guanidinovaleric acid,arginine,n2-benzoyl-,monohydrochloride 9ci,2-benzamido-5-diaminomethylideneamino pentanoic acid PubChem CID: 273355 IUPAC Name: 2-benzamido-5-(diaminomethylideneamino)pentanoic acid SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)O

PubChem CID 273355
CAS 6453-58-3
Molecular Weight (g/mol) 278.312
MDL Number MFCD00063011
SMILES C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)O
Synonym 5-amino imino methyl amino-2-benzoylamino pentanoic acid,5-carbamimidamido-2-phenylformamido pentanoic acid,n2-benzoylarginine,l-arginine, n2-benzoyl,benzoyl-dl-arginine,n-?-benzoyl-l-arginine,2-benzamido-5-guanidinopentanoic acid,2-benzoylamino-5-guanidinovaleric acid,arginine,n2-benzoyl-,monohydrochloride 9ci,2-benzamido-5-diaminomethylideneamino pentanoic acid
IUPAC Name 2-benzamido-5-(diaminomethylideneamino)pentanoic acid
InChI Key RSYYQCDERUOEFI-UHFFFAOYSA-N
Molecular Formula C13H18N4O3
9

Folinic acid, calcium salt, 99.4%, MP Biomedicals™

Molecular Formula: C20H21CaN7O7 Molecular Weight (g/mol): 511.51 MDL Number: MFCD00006704 InChI Key: KVUAALJSMIVURS-AEQORCIRNA-L Synonym: calcium folinate PubChem CID: 131675590 SMILES: [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1

PubChem CID 131675590
Molecular Weight (g/mol) 511.51
MDL Number MFCD00006704
SMILES [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
Synonym calcium folinate
InChI Key KVUAALJSMIVURS-AEQORCIRNA-L
Molecular Formula C20H21CaN7O7
10

Hippuric Acid, TRC

CAS: 495-69-2 Molecular Formula: C9 H9 N O3 Molecular Weight (g/mol): 179.17 Synonym: Hippuric acid (8CI),2-(Benzoylamino)acetic acid,2-Benzamidoacetic acid,Acetic acid, (benzoylamino)-,Benzamidoacetic acid,Benzoyl Glycocoll,Benzoylglycine,N-(Phenylcarbonyl)glycine,N-Benzoylglycine,NSC 9982,Phenylcarbonylaminoacetic acid,Glycine, N-benzoyl-,Hippuric Acid IUPAC Name: 2-benzamidoacetic acid SMILES: OC(=O)CNC(=O)c1ccccc1

CAS 495-69-2
Molecular Weight (g/mol) 179.17
SMILES OC(=O)CNC(=O)c1ccccc1
Synonym Hippuric acid (8CI),2-(Benzoylamino)acetic acid,2-Benzamidoacetic acid,Acetic acid, (benzoylamino)-,Benzamidoacetic acid,Benzoyl Glycocoll,Benzoylglycine,N-(Phenylcarbonyl)glycine,N-Benzoylglycine,NSC 9982,Phenylcarbonylaminoacetic acid,Glycine, N-benzoyl-,Hippuric Acid
IUPAC Name 2-benzamidoacetic acid
Molecular Formula C9 H9 N O3
11

Gentisuric Acid, TRC

CAS: 25351-24-0 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.17 Synonym: Gentisuric Acid IUPAC Name: 2-[(2,5-dihydroxybenzoyl)amino]acetic acid SMILES: OC(=O)CNC(=O)c1cc(O)ccc1O

CAS 25351-24-0
Molecular Weight (g/mol) 211.17
SMILES OC(=O)CNC(=O)c1cc(O)ccc1O
Synonym Gentisuric Acid
IUPAC Name 2-[(2,5-dihydroxybenzoyl)amino]acetic acid
Molecular Formula C9H9NO5
12

m-Hydroxyhippuric Acid, TRC

CAS: 1637-75-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 Synonym: N-(3-Hydroxybenzoyl)-glycine,3-Hydroxybenzoylglycine,3-Hydroxyhippuric acid,N-m-Hydroxylbenzoylglycine IUPAC Name: 2-[(3-hydroxybenzoyl)amino]acetic acid SMILES: Cl.N#CCCNC(C)Cc1ccccc1

CAS 1637-75-8
Molecular Weight (g/mol) 195.17
SMILES Cl.N#CCCNC(C)Cc1ccccc1
Synonym N-(3-Hydroxybenzoyl)-glycine,3-Hydroxybenzoylglycine,3-Hydroxyhippuric acid,N-m-Hydroxylbenzoylglycine
IUPAC Name 2-[(3-hydroxybenzoyl)amino]acetic acid
Molecular Formula C9H9NO4
13

4-Hydroxyhippuric Acid, TRC

CAS: 2482-25-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 Synonym: N-(4-Hydroxybenzoyl)glycine,4-Hydroxybenzoylglycine,N-(p-Hydroxybenzoyl)glycine,p-Hydroxyhippuric Acid IUPAC Name: 2-[(4-hydroxybenzoyl)amino]acetic acid SMILES: OC(=O)CNC(=O)c1ccc(O)cc1

CAS 2482-25-9
Molecular Weight (g/mol) 195.17
SMILES OC(=O)CNC(=O)c1ccc(O)cc1
Synonym N-(4-Hydroxybenzoyl)glycine,4-Hydroxybenzoylglycine,N-(p-Hydroxybenzoyl)glycine,p-Hydroxyhippuric Acid
IUPAC Name 2-[(4-hydroxybenzoyl)amino]acetic acid
Molecular Formula C9H9NO4
14

Hippuric Acid-13C6, TRC

CAS: 1163160-18-6 Molecular Formula: C313C6H9NO3 Molecular Weight (g/mol): 185.13 Synonym: N-(Benzoyl-1,2,3,4,5,6-13C6)-glycine IUPAC Name: 2-((1,2,3,4,5,6-^{13}C_{6})cyclohexatrienecarbonylamino)acetic acid SMILES: OC(CNC([13C]1=[13C]([H])[13C]([H])=[13C]([H])[13C]([H])=[13C]1[H])=O)=O

CAS 1163160-18-6
Molecular Weight (g/mol) 185.13
SMILES OC(CNC([13C]1=[13C]([H])[13C]([H])=[13C]([H])[13C]([H])=[13C]1[H])=O)=O
Synonym N-(Benzoyl-1,2,3,4,5,6-13C6)-glycine
IUPAC Name 2-((1,2,3,4,5,6-^{13}C_{6})cyclohexatrienecarbonylamino)acetic acid
Molecular Formula C313C6H9NO3
15

3-Methyl Hippuric Acid, TRC

CAS: 27115-49-7 Molecular Formula: C10 H11 N O3 Molecular Weight (g/mol): 193.2 Synonym: Glycine, N-(3-methylbenzoyl)-,Hippuric acid, 3-methyl- (7CI),Hippuric acid, m-methyl- (6CI,8CI),N-(3-Methylbenzoyl)glycine,(3-Methyl-benzoylamino)-acetic acid,2-[(3-Methylbenzoyl)amino]acetic acid,2-[(3-Methylphenyl)formamido]acetic acid,3-Methylbenzoylglycine,3-Methylhippuric acid,NSC 201735,m-Methylhippuric acid,m-Toluric acid IUPAC Name: 2-[(3-methylbenzoyl)amino]acetic acid SMILES: Cc1cccc(c1)C(=O)NCC(=O)O

CAS 27115-49-7
Molecular Weight (g/mol) 193.2
SMILES Cc1cccc(c1)C(=O)NCC(=O)O
Synonym Glycine, N-(3-methylbenzoyl)-,Hippuric acid, 3-methyl- (7CI),Hippuric acid, m-methyl- (6CI,8CI),N-(3-Methylbenzoyl)glycine,(3-Methyl-benzoylamino)-acetic acid,2-[(3-Methylbenzoyl)amino]acetic acid,2-[(3-Methylphenyl)formamido]acetic acid,3-Methylbenzoylglycine,3-Methylhippuric acid,NSC 201735,m-Methylhippuric acid,m-Toluric acid
IUPAC Name 2-[(3-methylbenzoyl)amino]acetic acid
Molecular Formula C10 H11 N O3