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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H17N6O4S.K
Molecular Weight 392.475
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM 6-(5-ETHYLTETRAZOL-1-YL-ACETAMIDO)PENICILLINATE

SMILES

[K+].CCC1=NN=NN1CC(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O

InChI

InChIKey=JBUJBRUNDLKCIE-GITWGATASA-M
InChI=1S/C13H18N6O4S.K/c1-4-6-15-16-17-18(6)5-7(20)14-8-10(21)19-9(12(22)23)13(2,3)24-11(8)19;/h8-9,11H,4-5H2,1-3H3,(H,14,20)(H,22,23);/q;+1/p-1/t8-,9+,11-;/m1./s1

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H17N6O4S
Molecular Weight 353.377
Charge -1
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 Mon Mar 31 21:34:00 GMT 2025
Edited
by admin
on Mon Mar 31 21:34:00 GMT 2025
Record UNII
AOQ88LV6F5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(5-ETHYLTETRAZOL-1-YL-ACETAMIDO)PENICILLINATE POTASSIUM SALT
Preferred Name English
POTASSIUM 6-(5-ETHYLTETRAZOL-1-YL-ACETAMIDO)PENICILLINATE
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(2-(5-ETHYL-1H-TETRAZOL-1-YL)ACETAMIDO)-3,3-DIMETHYL-7-OXO-, MONOPOTASSIUM SALT
Systematic Name English
Code System Code Type Description
PUBCHEM
91864435
Created by admin on Mon Mar 31 21:34:00 GMT 2025 , Edited by admin on Mon Mar 31 21:34:00 GMT 2025
PRIMARY
CAS
26553-38-8
Created by admin on Mon Mar 31 21:34:00 GMT 2025 , Edited by admin on Mon Mar 31 21:34:00 GMT 2025
PRIMARY
FDA UNII
AOQ88LV6F5
Created by admin on Mon Mar 31 21:34:00 GMT 2025 , Edited by admin on Mon Mar 31 21:34:00 GMT 2025
PRIMARY