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Details

Stereochemistry EPIMERIC
Molecular Formula C18H20ClN3O4S
Molecular Weight 409.887
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLOXACILLIN PENILLOIC ACID

SMILES

CC1=C(C(=O)NCC2N[C@@H](C(O)=O)C(C)(C)S2)C(=NO1)C3=CC=CC=C3Cl

InChI

InChIKey=QNBJJEXBUJGUBR-CVRLYYSRSA-N
InChI=1S/C18H20ClN3O4S/c1-9-13(14(22-26-9)10-6-4-5-7-11(10)19)16(23)20-8-12-21-15(17(24)25)18(2,3)27-12/h4-7,12,15,21H,8H2,1-3H3,(H,20,23)(H,24,25)/t12?,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H20ClN3O4S
Molecular Weight 409.887
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:29:14 GMT 2025
Edited
by admin
on Mon Mar 31 23:29:14 GMT 2025
Record UNII
WPZ8D2DBB6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOXACILLIN PENILLOIC ACID
Common Name English
(2RS,4S)-2-((((3-(2-CHLOROPHENYL)-5-METHYL-1,2-OXAZOL-4-YL)CARBONYL)AMINO)METHYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
Preferred Name English
CLOXACILLIN SODIUM IMPURITY B [EP IMPURITY]
Common Name English
(4S)-2-((3-(2-CHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXAMIDO)METHYL)-5,5-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
CAS
1642559-64-5
Created by admin on Mon Mar 31 23:29:14 GMT 2025 , Edited by admin on Mon Mar 31 23:29:14 GMT 2025
PRIMARY
FDA UNII
WPZ8D2DBB6
Created by admin on Mon Mar 31 23:29:14 GMT 2025 , Edited by admin on Mon Mar 31 23:29:14 GMT 2025
PRIMARY
PUBCHEM
155801562
Created by admin on Mon Mar 31 23:29:14 GMT 2025 , Edited by admin on Mon Mar 31 23:29:14 GMT 2025
PRIMARY PUBCHEM
Related Record Type Details
PARENT -> IMPURITY