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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18ClN3O4S2
Molecular Weight 451.947
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(3-P-CHLOROPHENYL-5-METHYLISOTHIAZOLYL-4-CARBOXAMIDO)PENICILLIN

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(C)SN=C3C4=CC=C(Cl)C=C4)C(O)=O

InChI

InChIKey=YBANJJPNNMVEMA-JKIFEVAISA-N
InChI=1S/C19H18ClN3O4S2/c1-8-11(12(22-29-8)9-4-6-10(20)7-5-9)15(24)21-13-16(25)23-14(18(26)27)19(2,3)28-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H18ClN3O4S2
Molecular Weight 451.947
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 14:15:50 GMT 2023
Edited
by admin
on Sat Dec 16 14:15:50 GMT 2023
Record UNII
6L3HFN9AJF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(3-P-CHLOROPHENYL-5-METHYLISOTHIAZOLYL-4-CARBOXAMIDO)PENICILLIN
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((3-(4-CHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLYL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-
Systematic Name English
6-(3-P-CHLOROPHENYL-5-METHYL-ISOTHIAZOLE-4-CARBOXAMIDO)PENICILLIN
Common Name English
(2S,5R,6R)-6-(((3-(4-CHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLYL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
133082723
Created by admin on Sat Dec 16 14:15:51 GMT 2023 , Edited by admin on Sat Dec 16 14:15:51 GMT 2023
PRIMARY
CAS
703394-55-2
Created by admin on Sat Dec 16 14:15:51 GMT 2023 , Edited by admin on Sat Dec 16 14:15:51 GMT 2023
PRIMARY
FDA UNII
6L3HFN9AJF
Created by admin on Sat Dec 16 14:15:51 GMT 2023 , Edited by admin on Sat Dec 16 14:15:51 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT