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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H15N3O4S2
Molecular Weight 341.406
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(ISOTHIAZOL-3'-YL-ACETAMIDO)PENICILLANIC ACID

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC3=NSC=C3)C(O)=O

InChI

InChIKey=HXRDERNKLZSERB-WCABBAIRSA-N
InChI=1S/C13H15N3O4S2/c1-13(2)9(12(19)20)16-10(18)8(11(16)22-13)14-7(17)5-6-3-4-21-15-6/h3-4,8-9,11H,5H2,1-2H3,(H,14,17)(H,19,20)/t8-,9+,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H15N3O4S2
Molecular Weight 341.406
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:14:38 GMT 2023
Edited
by admin
on Sat Dec 16 10:14:38 GMT 2023
Record UNII
849O179910
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(ISOTHIAZOL-3'-YL-ACETAMIDO)PENICILLANIC ACID
Common Name English
6-(3-ISOTHIAZOLYLACETAMIDO)PENICILLANIC ACID
Systematic Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((3-ISOTHIAZOLYLACETYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-
Systematic Name English
Code System Code Type Description
FDA UNII
849O179910
Created by admin on Sat Dec 16 10:14:38 GMT 2023 , Edited by admin on Sat Dec 16 10:14:38 GMT 2023
PRIMARY
CAS
16172-10-4
Created by admin on Sat Dec 16 10:14:38 GMT 2023 , Edited by admin on Sat Dec 16 10:14:38 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
117587599
Created by admin on Sat Dec 16 10:14:38 GMT 2023 , Edited by admin on Sat Dec 16 10:14:38 GMT 2023
PRIMARY
CAS
34783-50-1
Created by admin on Sat Dec 16 10:14:38 GMT 2023 , Edited by admin on Sat Dec 16 10:14:38 GMT 2023
PRIMARY
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