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

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C10H12N4O5S.H2O
Molecular Weight 618.597
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAZOBACTAM HEMIHYDRATE

SMILES

O.[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CN3C=CN=N3)S2(=O)=O.[H][C@@]45CC(=O)N4[C@@H](C(O)=O)[C@](C)(CN6C=CN=N6)S5(=O)=O

InChI

InChIKey=BULFSGHLDZFFAI-WNEKGKLGSA-N
InChI=1S/2C10H12N4O5S.H2O/c2*1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h2*2-3,7-8H,4-5H2,1H3,(H,16,17);1H2/t2*7-,8+,10+;/m11./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TAZOBACTAM HEMIHYDRATE
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3-METHYL-7-OXO-3-(1H-1,2,3-TRIAZOL-1-YLMETHYL)-, 4,4-DIOXIDE, HYDRATE (2:1), (2S,3S,5R)-
Systematic Name English
Code System Code Type Description
FDA UNII
2YRJ6OXK1M
Created by admin on Sat Dec 16 09:16:28 UTC 2023 , Edited by admin on Sat Dec 16 09:16:28 UTC 2023
PRIMARY
CAS
428863-55-2
Created by admin on Sat Dec 16 09:16:28 UTC 2023 , Edited by admin on Sat Dec 16 09:16:28 UTC 2023
PRIMARY
SMS_ID
300000047633
Created by admin on Sat Dec 16 09:16:28 UTC 2023 , Edited by admin on Sat Dec 16 09:16:28 UTC 2023
PRIMARY
PUBCHEM
133082183
Created by admin on Sat Dec 16 09:16:28 UTC 2023 , Edited by admin on Sat Dec 16 09:16:28 UTC 2023
PRIMARY