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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14N3O3S
Molecular Weight 292.334
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of (6R,7R)-7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES

N[C@H]1[C@H]2SCC(C[N+]3=CC=CC=C3)=C(N2C1=O)C(O)=O

InChI

InChIKey=ACIOXMJZEFKYHZ-BXKDBHETSA-O
InChI=1S/C13H13N3O3S/c14-9-11(17)16-10(13(18)19)8(7-20-12(9)16)6-15-4-2-1-3-5-15/h1-5,9,12H,6-7,14H2/p+1/t9-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H14N3O3S
Molecular Weight 292.334
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:32:04 GMT 2025
Edited
by admin
on Wed Apr 02 20:32:04 GMT 2025
Record UNII
K46V8DNU5W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6R,7R)-7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Systematic Name English
1-(((6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)pyridin-1-ium
Preferred Name English
Pyridinium, 1-[(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-, (6R-trans)-
Systematic Name English
Code System Code Type Description
FDA UNII
K46V8DNU5W
Created by admin on Wed Apr 02 20:32:04 GMT 2025 , Edited by admin on Wed Apr 02 20:32:04 GMT 2025
PRIMARY
CAS
41360-25-2
Created by admin on Wed Apr 02 20:32:04 GMT 2025 , Edited by admin on Wed Apr 02 20:32:04 GMT 2025
PRIMARY
PUBCHEM
11055418
Created by admin on Wed Apr 02 20:32:04 GMT 2025 , Edited by admin on Wed Apr 02 20:32:04 GMT 2025
PRIMARY