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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H23N3O7S2
Molecular Weight 445.51
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(DIETHYLCARBAMOYLMERCAPTOACETAMIDO)CEPHALOSPORANIC ACID

SMILES

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

InChI

InChIKey=USSNFHJMRCCZGQ-IUODEOHRSA-N
InChI=1S/C17H23N3O7S2/c1-4-19(5-2)17(26)29-8-11(22)18-12-14(23)20-13(16(24)25)10(6-27-9(3)21)7-28-15(12)20/h12,15H,4-8H2,1-3H3,(H,18,22)(H,24,25)/t12-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H23N3O7S2
Molecular Weight 445.51
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 11:24:21 GMT 2023
Edited
by admin
on Sat Dec 16 11:24:21 GMT 2023
Record UNII
5CVL4X4QXP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(DIETHYLCARBAMOYLMERCAPTOACETAMIDO)CEPHALOSPORANIC ACID
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-7-(((((DIETHYLAMINO)CARBONYL)THIO)ACETYL)AMINO)-8-OXO-, (6R-TRANS)-
Common Name English
Code System Code Type Description
CAS
741189-01-5
Created by admin on Sat Dec 16 11:24:21 GMT 2023 , Edited by admin on Sat Dec 16 11:24:21 GMT 2023
PRIMARY
FDA UNII
5CVL4X4QXP
Created by admin on Sat Dec 16 11:24:21 GMT 2023 , Edited by admin on Sat Dec 16 11:24:21 GMT 2023
PRIMARY
PUBCHEM
117587579
Created by admin on Sat Dec 16 11:24:21 GMT 2023 , Edited by admin on Sat Dec 16 11:24:21 GMT 2023
PRIMARY
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