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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12N2O5S2
Molecular Weight 340.375
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DEACYL CEFTIOFUR

SMILES

[H][C@]12SCC(CSC(=O)C3=CC=CO3)=C(N1C(=O)[C@H]2N)C(O)=O

InChI

InChIKey=ZMPDMYFTSINIIZ-LDYMZIIASA-N
InChI=1S/C13H12N2O5S2/c14-8-10(16)15-9(12(17)18)6(4-21-11(8)15)5-22-13(19)7-2-1-3-20-7/h1-3,8,11H,4-5,14H2,(H,17,18)/t8-,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H12N2O5S2
Molecular Weight 340.375
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 Sat Dec 16 11:11:15 UTC 2023
Edited
by admin
on Sat Dec 16 11:11:15 UTC 2023
Record UNII
1DL0V8GF96
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DEACYL CEFTIOFUR
Common Name English
CEFTIOFUR RELATED COMPOUND D [USP IMPURITY]
Common Name English
(6R,7R)-7-AMINO-3-((FURAN-2-CARBONYLTHIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
N-DEACYL CEFTIOFUR [USP IMPURITY]
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-AMINO-3-(((2-FURANYLCARBONYL)THIO)METHYL)-8-OXO-, (6R,7R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11221491
Created by admin on Sat Dec 16 11:11:16 UTC 2023 , Edited by admin on Sat Dec 16 11:11:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID60459257
Created by admin on Sat Dec 16 11:11:16 UTC 2023 , Edited by admin on Sat Dec 16 11:11:16 UTC 2023
PRIMARY
CAS
80370-59-8
Created by admin on Sat Dec 16 11:11:16 UTC 2023 , Edited by admin on Sat Dec 16 11:11:16 UTC 2023
PRIMARY
FDA UNII
1DL0V8GF96
Created by admin on Sat Dec 16 11:11:16 UTC 2023 , Edited by admin on Sat Dec 16 11:11:16 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP