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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
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1 – 15 of 54 results
1

Risperidone EP Impurity J, TRC

CAS: 1346606-24-3 Molecular Formula: C35 H40 F2 N6 O3 Molecular Weight (g/mol): 630.7273 Synonym: 3-[2-[4-[(EZ)-[4-Fluoro-2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]phenyl](hydroxyimino)methyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. J (EP) as (E/Z)-mixture,3-[2-[4-[(Z)-(4-Fluoro-2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)phenyl](hydroxyimino)methyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,(Risperidone Impurity, Mixture of E/Z isomers) IUPAC Name: 3-[2-[4-[C-[4-fluoro-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]phenyl]-N-hydroxycarbonimidoyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMILES: CC1=C(CCN2CCC(CC2)C(=NO)c3ccc(F)cc3N4CCC(CC4)c5noc6cc(F)ccc56)C(=O)N7CCCCC7=N1

CAS 1346606-24-3
Molecular Weight (g/mol) 630.7273
SMILES CC1=C(CCN2CCC(CC2)C(=NO)c3ccc(F)cc3N4CCC(CC4)c5noc6cc(F)ccc56)C(=O)N7CCCCC7=N1
Synonym 3-[2-[4-[(EZ)-[4-Fluoro-2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]phenyl](hydroxyimino)methyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,Risperidone Imp. J (EP) as (E/Z)-mixture,3-[2-[4-[(Z)-(4-Fluoro-2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)phenyl](hydroxyimino)methyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,(Risperidone Impurity, Mixture of E/Z isomers)
IUPAC Name 3-[2-[4-[C-[4-fluoro-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]phenyl]-N-hydroxycarbonimidoyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular Formula C35 H40 F2 N6 O3
2

Sofosbuvir impurity J, MedChemExpress

MedChemExpress Sofosbuvir impurity J, an diastereoisomer of Sofosbuvir, is the impurity of Sofosbuvir. Sofosbuvir (PSI-7977) is an inhibitor of HCV RNA replication, demonstrates potent anti-hepatitis C virus activity.

ENCOMPASS_PREFERRED
CAS 1334513-10-8
Molecular Weight (g/mol) 528.47
Color Light Yellow
Physical Form Solid
Chemical Name or Material Sofosbuvir impurity J
Grade Research
SMILES O[C@H]1[C@](F)(C)[C@H](N2C=CC(N)=NC2=O)O[C@@H]1CO[P@](OC3=CC=CC=C3)(N[C@@H](C)C(OC(C)C)=O)=O
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
For Use With (Application) COVID-19-anti-virus
Molecular Formula C22H30FN4O8P
Formula Weight 528.47
3

4-Thiouridine, 98+%

CAS: 13957-31-8 Molecular Formula: C9H12N2O5S Molecular Weight (g/mol): 260.26 MDL Number: MFCD00006538 InChI Key: ZLOIGESWDJYCTF-XVFCMESISA-N PubChem CID: 3032615 ChEBI: CHEBI:20480 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=S)NC1=O

EDGE
PubChem CID 3032615
CAS 13957-31-8
Molecular Weight (g/mol) 260.26
ChEBI CHEBI:20480
MDL Number MFCD00006538
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=S)NC1=O
InChI Key ZLOIGESWDJYCTF-XVFCMESISA-N
Molecular Formula C9H12N2O5S
5

Hydroxytacrine maleate salt, Thermo Scientific Chemicals

CAS: 118909-22-1 Molecular Formula: C17H18N2O5 Molecular Weight (g/mol): 330.34 MDL Number: MFCD00069287 InChI Key: NEEKVKZFYBQFGT-BTJKTKAUSA-N Synonym: velnacrine maleate,9-amino-1,2,3,4-tetrahydroacridin-1-ol maleate,hydroxytacrine maleate,mentane,1-hydroxy tacrine maleate,unii-wr9885gals,velnacrine maleate usan,wr9885gals,dsstox_cid_25158 PubChem CID: 5702293 IUPAC Name: 9-amino-1,2,3,4-tetrahydroacridin-1-ol;(Z)-but-2-enedioic acid SMILES: C1CC(C2=C(C3=CC=CC=C3N=C2C1)N)O.C(=CC(=O)O)C(=O)O

PubChem CID 5702293
CAS 118909-22-1
Molecular Weight (g/mol) 330.34
MDL Number MFCD00069287
SMILES C1CC(C2=C(C3=CC=CC=C3N=C2C1)N)O.C(=CC(=O)O)C(=O)O
Synonym velnacrine maleate,9-amino-1,2,3,4-tetrahydroacridin-1-ol maleate,hydroxytacrine maleate,mentane,1-hydroxy tacrine maleate,unii-wr9885gals,velnacrine maleate usan,wr9885gals,dsstox_cid_25158
IUPAC Name 9-amino-1,2,3,4-tetrahydroacridin-1-ol;(Z)-but-2-enedioic acid
InChI Key NEEKVKZFYBQFGT-BTJKTKAUSA-N
Molecular Formula C17H18N2O5
6

8-Bromoadenine

CAS: 6974-78-3 Molecular Formula: C5H4BrN5 Molecular Weight (g/mol): 214.03 MDL Number: MFCD00082518 InChI Key: FVXHPCVBOXMRJP-UHFFFAOYSA-N Synonym: 8-bromoadenine,8-bromo-9h-purin-6-amine,6-amino-8-bromopurine,8-br-adenine,8-bromo-1h-adenine,8-bromo-1h-purin-6-amine,8-bromo-9h-purin-6-ylamine,8-bromopurine-6-ylamine,chembl65747,9h-purin-6-amine, 8-bromo PubChem CID: 81457 IUPAC Name: 8-bromo-7H-purin-6-amine SMILES: NC1=C2NC(Br)=NC2=NC=N1

PubChem CID 81457
CAS 6974-78-3
Molecular Weight (g/mol) 214.03
MDL Number MFCD00082518
SMILES NC1=C2NC(Br)=NC2=NC=N1
Synonym 8-bromoadenine,8-bromo-9h-purin-6-amine,6-amino-8-bromopurine,8-br-adenine,8-bromo-1h-adenine,8-bromo-1h-purin-6-amine,8-bromo-9h-purin-6-ylamine,8-bromopurine-6-ylamine,chembl65747,9h-purin-6-amine, 8-bromo
IUPAC Name 8-bromo-7H-purin-6-amine
InChI Key FVXHPCVBOXMRJP-UHFFFAOYSA-N
Molecular Formula C5H4BrN5
7

Angiotensin I (human)

CAS: 484-42-4 Molecular Formula: C62H89N17O14 Molecular Weight (g/mol): 1296.50 MDL Number: MFCD00133091 InChI Key: ORWYRWWVDCYOMK-HBZPZAIKSA-N Synonym: angiotensin i,human angiotensin i,angiotensin i human,5-ile-angiotensin i,angiotensin i rat,angiotensin i mouse,angiotensin 1 human,angiotensin i human, mouse, rat,pepsitensin,ile5-angiotensin i PubChem CID: 3081372 ChEBI: CHEBI:2718 IUPAC Name: (2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(1H-imidazol-5-yl)propanamido]-4-methylpentanoic acid SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(O)=O

PubChem CID 3081372
CAS 484-42-4
Molecular Weight (g/mol) 1296.50
ChEBI CHEBI:2718
MDL Number MFCD00133091
SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(O)=O
Synonym angiotensin i,human angiotensin i,angiotensin i human,5-ile-angiotensin i,angiotensin i rat,angiotensin i mouse,angiotensin 1 human,angiotensin i human, mouse, rat,pepsitensin,ile5-angiotensin i
IUPAC Name (2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(1H-imidazol-5-yl)propanamido]-4-methylpentanoic acid
InChI Key ORWYRWWVDCYOMK-HBZPZAIKSA-N
Molecular Formula C62H89N17O14
8

Antide acetate, Thermo Scientific Chemicals

CAS: 112568-12-4 Molecular Formula: C82H108ClN17O14 Molecular Weight (g/mol): 1591.32 MDL Number: MFCD00133104,MFCD00133104 InChI Key: QRYFGTULTGLGHU-NBERXCRTSA-N Synonym: antide,iturelix,antide acetate,nal-lys-gnrh,unii-94055uoq3y,nal-lys-gnrhant,d-alaninamide, n-acetyl-3-2-naphthalenyl-d-alanyl-4-chloro-d-phenylalanyl-3-3-pyridinyl-d-alanyl-l-seryl-n6-3-pyridinylcarbonyl-l-lysyl-n6-3-pyridinylcarbonyl-d-lysyl-l-leucyl-n6-1-methylethyl-l-lysyl-l-prolyl,n-acetyl-3-naphhalen-2-yl-d-alanyl-p-chloro-d-phenylalanyl-3-3-pyridyl-d-alanyl-l-seryl-n sup 6-nicotinyl-l-lysyl-n sup 6-nicotinyl-d-lysyl-l-leucyl-n sup 6-isopropyl-l-lysyl-l-prolyl-d-alaninamide,d-alaninamide, n-acetyl-3-2-naphthalenyl-d-alanyl-4-chloro-d-phenylalanyl-3-3-pyridinyl-d-alanyl-l-seryl-n sup 6-3-pyridinylcarbonyl-l-lysyl-n sup 6-3-pyridinylcarbonyl-d-lysyl-l-leucyl-n sup 6-1-methylethyl-l-lysyl-l-prolyl,iturelix usan:inn PubChem CID: 16130938 IUPAC Name: (2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-5-[(pyridin-3-yl)formamido]pentyl]-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]-6-[(pyridin-3-yl)formamido]hexanamide SMILES: CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)C1=CC=CN=C1)NC(=O)[C@H](CCCCNC(=O)C1=CC=CN=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

PubChem CID 16130938
CAS 112568-12-4
Molecular Weight (g/mol) 1591.32
MDL Number MFCD00133104,MFCD00133104
SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)C1=CC=CN=C1)NC(=O)[C@H](CCCCNC(=O)C1=CC=CN=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Synonym antide,iturelix,antide acetate,nal-lys-gnrh,unii-94055uoq3y,nal-lys-gnrhant,d-alaninamide, n-acetyl-3-2-naphthalenyl-d-alanyl-4-chloro-d-phenylalanyl-3-3-pyridinyl-d-alanyl-l-seryl-n6-3-pyridinylcarbonyl-l-lysyl-n6-3-pyridinylcarbonyl-d-lysyl-l-leucyl-n6-1-methylethyl-l-lysyl-l-prolyl,n-acetyl-3-naphhalen-2-yl-d-alanyl-p-chloro-d-phenylalanyl-3-3-pyridyl-d-alanyl-l-seryl-n sup 6-nicotinyl-l-lysyl-n sup 6-nicotinyl-d-lysyl-l-leucyl-n sup 6-isopropyl-l-lysyl-l-prolyl-d-alaninamide,d-alaninamide, n-acetyl-3-2-naphthalenyl-d-alanyl-4-chloro-d-phenylalanyl-3-3-pyridinyl-d-alanyl-l-seryl-n sup 6-3-pyridinylcarbonyl-l-lysyl-n sup 6-3-pyridinylcarbonyl-d-lysyl-l-leucyl-n sup 6-1-methylethyl-l-lysyl-l-prolyl,iturelix usan:inn
IUPAC Name (2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-5-[(pyridin-3-yl)formamido]pentyl]-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]-6-[(pyridin-3-yl)formamido]hexanamide
InChI Key QRYFGTULTGLGHU-NBERXCRTSA-N
Molecular Formula C82H108ClN17O14
11

Chelerythrine chloride, 99+%

CAS: 3895-92-9 Molecular Formula: C21H18ClNO4 Molecular Weight (g/mol): 383.83 MDL Number: MFCD00060717 InChI Key: WEEFNMFMNMASJY-UHFFFAOYSA-M Synonym: chelerythrine chloride,chelerythrine hydrochloride,chelerythrinechloride,unii-7ic98tz0pz,1,2-dimethoxy-12-methyl-1,3 dioxolo 4',5':4,5 benzo 1,2-c phenanthridin-12-ium chloride,chelerythrine, chloride,7ic98tz0pz,1,2-dimethoxy-n-methyl-1,3-benzodioxolo 5,6c phenanthridinium,1,2-dimethoxy-12-methyl 1,3 benzodioxolo 5,6-c phenanthridinium chloride PubChem CID: 72311 SMILES: [Cl-].COC1=CC=C2C(C=[N+](C)C3=C2C=CC2=CC4=C(OCO4)C=C32)=C1OC

PubChem CID 72311
CAS 3895-92-9
Molecular Weight (g/mol) 383.83
MDL Number MFCD00060717
SMILES [Cl-].COC1=CC=C2C(C=[N+](C)C3=C2C=CC2=CC4=C(OCO4)C=C32)=C1OC
Synonym chelerythrine chloride,chelerythrine hydrochloride,chelerythrinechloride,unii-7ic98tz0pz,1,2-dimethoxy-12-methyl-1,3 dioxolo 4',5':4,5 benzo 1,2-c phenanthridin-12-ium chloride,chelerythrine, chloride,7ic98tz0pz,1,2-dimethoxy-n-methyl-1,3-benzodioxolo 5,6c phenanthridinium,1,2-dimethoxy-12-methyl 1,3 benzodioxolo 5,6-c phenanthridinium chloride
InChI Key WEEFNMFMNMASJY-UHFFFAOYSA-M
Molecular Formula C21H18ClNO4
12

Mevastatin, 98%

CAS: 73573-88-3 Molecular Formula: C23H34O5 Molecular Weight (g/mol): 390.52 MDL Number: MFCD05662341 InChI Key: AJLFOPYRIVGYMJ-INTXDZFKSA-N Synonym: mevastatin,compactin,mevastatinum,mevastatina,mevastatine,mevastatinum inn-latin,antibiotic ml 236b,mevastatin inn,compactin penicillium,mevastatine inn-french PubChem CID: 64715 ChEBI: CHEBI:34848 IUPAC Name: [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate SMILES: CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12

PubChem CID 64715
CAS 73573-88-3
Molecular Weight (g/mol) 390.52
ChEBI CHEBI:34848
MDL Number MFCD05662341
SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Synonym mevastatin,compactin,mevastatinum,mevastatina,mevastatine,mevastatinum inn-latin,antibiotic ml 236b,mevastatin inn,compactin penicillium,mevastatine inn-french
IUPAC Name [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
InChI Key AJLFOPYRIVGYMJ-INTXDZFKSA-N
Molecular Formula C23H34O5
15

5-Aza-2'-deoxycytidine, 98%

CAS: 2353-33-5 Molecular Formula: C9H13N3O4 Molecular Weight (g/mol): 227.22 MDL Number: MFCD00006547 InChI Key: CKTSBUTUHBMZGZ-SHYZEUOFSA-N Synonym: decitabine,5-aza-2'-deoxycytidine,dacogen,5-azadeoxycytidine,2'-deoxy-5-azacytidine,azadc,dezocitidine,5-aza-cdr,5-aza-dc,dacogen tn PubChem CID: 451668 ChEBI: CHEBI:50131 IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one SMILES: NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1

PubChem CID 451668
CAS 2353-33-5
Molecular Weight (g/mol) 227.22
ChEBI CHEBI:50131
MDL Number MFCD00006547
SMILES NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1
Synonym decitabine,5-aza-2'-deoxycytidine,dacogen,5-azadeoxycytidine,2'-deoxy-5-azacytidine,azadc,dezocitidine,5-aza-cdr,5-aza-dc,dacogen tn
IUPAC Name 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
InChI Key CKTSBUTUHBMZGZ-SHYZEUOFSA-N
Molecular Formula C9H13N3O4