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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H13N3O3S.ClH
Molecular Weight 327.787
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate hydrochloride

SMILES

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

InChI

InChIKey=NIMOCGUQBQAFFY-WYUVZMMLSA-N
InChI=1S/C13H13N3O3S.ClH/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;1H/t9-,12-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C13H13N3O3S
Molecular Weight 291.326
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:13:52 GMT 2025
Edited
by admin
on Wed Apr 02 19:13:52 GMT 2025
Record UNII
5TLG3V29DL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate hydrochloride
Systematic Name English
(6R,7R)-7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
Preferred Name English
Code System Code Type Description
PUBCHEM
12875706
Created by admin on Wed Apr 02 19:13:52 GMT 2025 , Edited by admin on Wed Apr 02 19:13:52 GMT 2025
PRIMARY
FDA UNII
5TLG3V29DL
Created by admin on Wed Apr 02 19:13:52 GMT 2025 , Edited by admin on Wed Apr 02 19:13:52 GMT 2025
PRIMARY