Desacetylcephapirin sodium

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H14N3O5S2.Na
Molecular Weight	403.409
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSC3=CC=NC=C3)C2=O)C([O-])=O

InChI

InChIKey=XYXWZYPKYXORJY-GBWFEORMSA-M

InChI=1S/C15H15N3O5S2.Na/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9;/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23);/q;+1/p-1/t11-,14-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C15H14N3O5S2
Molecular Weight	380.419
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 17:19:23 GMT 2025` Edited by `admin` on `Wed Apr 02 17:19:23 GMT 2025`
Record UNII	F26FSL58F7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Desacetyl Cephapirin Sodium Salt

Preferred Name

English

Desacetylcephapirin sodium

Common Name

English

sodium (6R,7R)-3-(hydroxymethyl)-8-oxo-7-(2-(pyridin-4-ylthio)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systematic Name

English

(6R-Trans)-3-(hydroxymethyl)-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, monosodium salt

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, monosodium salt, (6R-trans)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

71315606

Created by admin on Wed Apr 02 17:19:23 GMT 2025 , Edited by admin on Wed Apr 02 17:19:23 GMT 2025

PRIMARY

CAS

104557-24-6

Created by admin on Wed Apr 02 17:19:23 GMT 2025 , Edited by admin on Wed Apr 02 17:19:23 GMT 2025

PRIMARY

EPA CompTox

DTXSID50747519

Created by admin on Wed Apr 02 17:19:23 GMT 2025 , Edited by admin on Wed Apr 02 17:19:23 GMT 2025

PRIMARY

FDA UNII

F26FSL58F7

Created by admin on Wed Apr 02 17:19:23 GMT 2025 , Edited by admin on Wed Apr 02 17:19:23 GMT 2025

PRIMARY

Related Record Type Details


					XX90DN99PA

DESACETYLCEPHAPIRIN

PARENT -> SALT/SOLVATE

Amount: