U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18N2O4S
Molecular Weight 334.39
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYLPENILLIC ACID

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(CC3=CC=CC=C3)=N[C@@H]2C(O)=O)C(O)=O

InChI

InChIKey=PSPRNQOVLYLHSA-RWMBFGLXSA-N
InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-10(8-9-6-4-3-5-7-9)17-11(14(19)20)13(18)23-16/h3-7,11-13H,8H2,1-2H3,(H,19,20)(H,21,22)/t11-,12-,13+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZYLPENILLIC ACID
Common Name English
NSC-76064
Code English
BENZYLPENICILLIN (BENZATHINE) TETRAHYDRATE IMPURITY D [EP IMPURITY]
Common Name English
BENZYLPENICILLIN SODIUM IMPURITY D [EP IMPURITY]
Common Name English
2,3,7,7A-TETRAHYDRO-2,2-DIMETHYL-5-(PHENYLMETHYL)IMIDAZO(5,1-B)THIAZOLE-3,7-DICARBOXYLIC ACID
Systematic Name English
IMIDAZO(5,1-B)THIAZOLE-3,7-DICARBOXYLIC ACID, 5-BENZYL-2,3,7,7A-TETRAHYDRO-2,2-DIMETHYL-
Systematic Name English
PROCAINE BENZYLPENICILLIN IMPURITY D [EP IMPURITY]
Common Name English
Penillic acid of benzylpenicillin
Common Name English
IMIDAZO(5,1-B)THIAZOLE-3,7-DICARBOXYLIC ACID, 2,3,7,7A-TETRAHYDRO-2,2-DIMETHYL-5-(PHENYLMETHYL)-
Systematic Name English
BENZYLPENICILLIN POTASSIUM IMPURITY D [EP IMPURITY]
Common Name English
(3S,7R,7AR)-5-BENZYL-2,2-DIMETHYL-2,3,7,7A-TETRAHYDROIMIDAZO(5,1-B)THIAZOLE-3,7-DICARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
3Z3J540R9X
Created by admin on Sat Dec 16 14:09:34 GMT 2023 , Edited by admin on Sat Dec 16 14:09:34 GMT 2023
PRIMARY
PUBCHEM
124418339
Created by admin on Sat Dec 16 14:09:34 GMT 2023 , Edited by admin on Sat Dec 16 14:09:34 GMT 2023
PRIMARY
CAS
13093-87-3
Created by admin on Sat Dec 16 14:09:34 GMT 2023 , Edited by admin on Sat Dec 16 14:09:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID80291510
Created by admin on Sat Dec 16 14:09:34 GMT 2023 , Edited by admin on Sat Dec 16 14:09:34 GMT 2023
PRIMARY
NSC
76064
Created by admin on Sat Dec 16 14:09:34 GMT 2023 , Edited by admin on Sat Dec 16 14:09:34 GMT 2023
PRIMARY