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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H15N3O5S2
Molecular Weight 381.427
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESACETYLCEPHAPIRIN

SMILES

[H][C@]12SCC(CO)=C(N1C(=O)[C@H]2NC(=O)CSC3=CC=NC=C3)C(O)=O

InChI

InChIKey=IOFHZPVEQXTSQW-BXUZGUMPSA-N
InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)/t11-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H15N3O5S2
Molecular Weight 381.427
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:26:00 GMT 2023
Edited
by admin
on Fri Dec 15 16:26:00 GMT 2023
Record UNII
XX90DN99PA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESACETYLCEPHAPIRIN
Common Name English
DEACETYLCEFAPIRIN
Common Name English
DEACETYLCEPHAPIRIN
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-(HYDROXYMETHYL)-8-OXO-7-((2-(4-PYRIDINYLTHIO)ACETYL)AMINO)-, (6R,7R)-
Systematic Name English
(6R,7R)-3-(HYDROXYMETHYL)-8-OXO-7-((((PYRIDIN-4-YL)SULFANYL)ACETYL)AMINO)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
CEFAPIRIN SODIUM IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00959064
Created by admin on Fri Dec 15 16:26:00 GMT 2023 , Edited by admin on Fri Dec 15 16:26:00 GMT 2023
PRIMARY
PUBCHEM
162287
Created by admin on Fri Dec 15 16:26:00 GMT 2023 , Edited by admin on Fri Dec 15 16:26:00 GMT 2023
PRIMARY
CAS
38115-21-8
Created by admin on Fri Dec 15 16:26:00 GMT 2023 , Edited by admin on Fri Dec 15 16:26:00 GMT 2023
PRIMARY
FDA UNII
XX90DN99PA
Created by admin on Fri Dec 15 16:26:00 GMT 2023 , Edited by admin on Fri Dec 15 16:26:00 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP