3-(acetoxymethyl)-7-(2-((cyanomethyl)thio)acetamido)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H17N3O7S2
Molecular Weight	415.441
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(acetoxymethyl)-7-(2-((cyanomethyl)thio)acetamido)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-

Structure Search

SMILES

[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C(O)=O

InChI

InChIKey=JFLBTONHQIDNMX-CABCVRRESA-N

InChI=1S/C15H17N3O7S2/c1-8(19)25-5-9-6-27-14-15(24-2,17-10(20)7-26-4-3-16)13(23)18(14)11(9)12(21)22/h14H,4-7H2,1-2H3,(H,17,20)(H,21,22)/t14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H17N3O7S2
Molecular Weight	415.441
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 `Sat Dec 16 19:49:56 UTC 2023` Edited by `admin` on `Sat Dec 16 19:49:56 UTC 2023`
Record UNII	RTY3G5R7Y2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-(acetoxymethyl)-7-(2-((cyanomethyl)thio)acetamido)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[[(cyanomethyl)thio]acetyl]amino]-7-methoxy-8-oxo-, (6R-cis)-

Systematic Name

English

(6R,7S)-3-(acetoxymethyl)-7-(2-((cyanomethyl)thio)acetamido)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systematic Name

English

Cefmetazole Impurity 8

Common Name

English

Code System Code Type Description

FDA UNII

RTY3G5R7Y2

Created by admin on Sat Dec 16 19:49:56 UTC 2023 , Edited by admin on Sat Dec 16 19:49:56 UTC 2023

PRIMARY

CAS

56796-16-8

Created by admin on Sat Dec 16 19:49:56 UTC 2023 , Edited by admin on Sat Dec 16 19:49:56 UTC 2023

PRIMARY

PUBCHEM

13195099

Created by admin on Sat Dec 16 19:49:56 UTC 2023 , Edited by admin on Sat Dec 16 19:49:56 UTC 2023

PRIMARY