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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14N3O3S.I
Molecular Weight 419.238
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 HYDRIODIDE

SMILES

[I-].[H][C@]12SCC(C[N+]3=CC=CC=C3)=C(N1C(=O)[C@H]2N)C(O)=O

InChI

InChIKey=SZYIIYPUOUTNDY-WYUVZMMLSA-N
InChI=1S/C13H13N3O3S.HI/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 HI
Molecular Weight 127.9124
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:48:25 GMT 2023
Edited
by admin
on Fri Dec 15 15:48:25 GMT 2023
Record UNII
G9113PML9Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(7-AMINOCEPHEM-3-EM-3-YLMETHYL)PYRIDINIUM-4-CARBOXYLATE HYDRIODIDE
Common Name English
PYRIDINIUM, 1-((7-AMINO-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-, IODIDE, (6R-TRANS)-
Common Name English
PYRIDINIUM, 1-(((6R,7R)-7-AMINO-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-, IODIDE (1:1)
Systematic Name English
PYRIDINIUM, 1-(((6R,7R)-7-AMINO-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-, IODIDE
Common Name English
Code System Code Type Description
CAS
106937-15-9
Created by admin on Fri Dec 15 15:48:25 GMT 2023 , Edited by admin on Fri Dec 15 15:48:25 GMT 2023
SUPERSEDED
CAS
100988-63-4
Created by admin on Fri Dec 15 15:48:25 GMT 2023 , Edited by admin on Fri Dec 15 15:48:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID60275651
Created by admin on Fri Dec 15 15:48:25 GMT 2023 , Edited by admin on Fri Dec 15 15:48:25 GMT 2023
PRIMARY
PUBCHEM
12875708
Created by admin on Fri Dec 15 15:48:25 GMT 2023 , Edited by admin on Fri Dec 15 15:48:25 GMT 2023
PRIMARY
CAS
105459-61-8
Created by admin on Fri Dec 15 15:48:25 GMT 2023 , Edited by admin on Fri Dec 15 15:48:25 GMT 2023
SUPERSEDED
FDA UNII
G9113PML9Z
Created by admin on Fri Dec 15 15:48:25 GMT 2023 , Edited by admin on Fri Dec 15 15:48:25 GMT 2023
PRIMARY