U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20ClNO3S
Molecular Weight 401.906
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAZOBACTAM RC 6

SMILES

[H][C@@]12CC(=O)N1[C@@H](C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)[C@](C)(CCl)S2

InChI

InChIKey=JCCKXLWAWRUWBK-LMNJBCLMSA-N
InChI=1S/C21H20ClNO3S/c1-21(13-22)19(23-16(24)12-17(23)27-21)20(25)26-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17-19H,12-13H2,1H3/t17-,19+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H20ClNO3S
Molecular Weight 401.906
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 18:22:41 GMT 2023
Edited
by admin
on Sat Dec 16 18:22:41 GMT 2023
Record UNII
N3FZV4ADG6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAZOBACTAM RC 6
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3-(CHLOROMETHYL)-3-METHYL-7-OXO-, DIPHENYLMETHYL ESTER, (2S-(2.ALPHA.,3.BETA.,5.ALPHA.))-
Systematic Name English
DIPHENYLMETHYL (2S,3R,5R)-3-(CHLOROMETHYL)-3-METHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE
Common Name English
(2S-(2.ALPHA.,3.BETA.,5.ALPHA.))-3-(CHLOROMETHYL)-3-METHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID DIPHENYLMETHYL ESTER
Systematic Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3-(CHLOROMETHYL)-3-METHYL-7-OXO-, DIPHENYLMETHYL ESTER, (2S,3R,5R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
13279731
Created by admin on Sat Dec 16 18:22:41 GMT 2023 , Edited by admin on Sat Dec 16 18:22:41 GMT 2023
PRIMARY
CAS
85573-73-5
Created by admin on Sat Dec 16 18:22:41 GMT 2023 , Edited by admin on Sat Dec 16 18:22:41 GMT 2023
PRIMARY
FDA UNII
N3FZV4ADG6
Created by admin on Sat Dec 16 18:22:41 GMT 2023 , Edited by admin on Sat Dec 16 18:22:41 GMT 2023
PRIMARY