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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14N2O5S
Molecular Weight 286.304
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6R,7R)-7-(ETHOXYCARBONYLAMINO)-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

SMILES

[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)OCC)C(O)=O

InChI

InChIKey=BMFXXIXASGEOOS-HZGVNTEJSA-N
InChI=1S/C11H14N2O5S/c1-3-18-11(17)12-6-8(14)13-7(10(15)16)5(2)4-19-9(6)13/h6,9H,3-4H2,1-2H3,(H,12,17)(H,15,16)/t6-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H14N2O5S
Molecular Weight 286.304
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 10:51:22 UTC 2023
Edited
by admin
on Sat Dec 16 10:51:22 UTC 2023
Record UNII
OFG11LN8TU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6R,7R)-7-(ETHOXYCARBONYLAMINO)-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((ETHOXYCARBONYL)AMINO)-3-METHYL-8-OXO-, (6R-TRANS)-
Systematic Name English
N-ETHOXYCARBONYL 7-AMINODESACETOXYCEPHALOSPORANIC ACID [USP IMPURITY]
Common Name English
N-ETHOXYCARBONYL 7-AMINODESACETOXYCEPHALOSPORANIC ACID
Common Name English
Code System Code Type Description
FDA UNII
OFG11LN8TU
Created by admin on Sat Dec 16 10:51:22 UTC 2023 , Edited by admin on Sat Dec 16 10:51:22 UTC 2023
PRIMARY
PUBCHEM
124519358
Created by admin on Sat Dec 16 10:51:22 UTC 2023 , Edited by admin on Sat Dec 16 10:51:22 UTC 2023
PRIMARY
CAS
72820-16-7
Created by admin on Sat Dec 16 10:51:22 UTC 2023 , Edited by admin on Sat Dec 16 10:51:22 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP