(6R,7R)-7-((E)-2-(2-AMINOTHIAZOL-4-YL)-2-(METHOXYIMINO)ACETAMIDO)-3-((FURAN-2-CARBONYLTHIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H17N5O7S3
Molecular Weight	523.563
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (6R,7R)-7-((E)-2-(2-AMINOTHIAZOL-4-YL)-2-(METHOXYIMINO)ACETAMIDO)-3-((FURAN-2-CARBONYLTHIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

Structure Search

SMILES

[H][C@]12SCC(CSC(=O)C3=CC=CO3)=C(N1C(=O)[C@H]2NC(=O)C(=N\OC)\C4=CSC(N)=N4)C(O)=O

InChI

InChIKey=ZBHXIWJRIFEVQY-HURQQZHVSA-N

InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11+/t12-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H17N5O7S3
Molecular Weight	523.563
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:43:48 UTC 2023` Edited by `admin` on `Sat Dec 16 15:43:48 UTC 2023`
Record UNII	MAN163YXK8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(6R,7R)-7-((E)-2-(2-AMINOTHIAZOL-4-YL)-2-(METHOXYIMINO)ACETAMIDO)-3-((FURAN-2-CARBONYLTHIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

Systematic Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-3-(((2-FURANYLCARBONYL)THIO)METHYL)-8-OXO-, (6R-(6.ALPHA.,7.BETA.(E)))-

Systematic Name

English

CEFTIOFUR E-ISOMER

Common Name

English

CEFTIOFUR E-ISOMER [USP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

MAN163YXK8

Created by admin on Sat Dec 16 15:43:48 UTC 2023 , Edited by admin on Sat Dec 16 15:43:48 UTC 2023

PRIMARY

PUBCHEM

5484735

Created by admin on Sat Dec 16 15:43:48 UTC 2023 , Edited by admin on Sat Dec 16 15:43:48 UTC 2023

PRIMARY

CAS

120882-20-4

Created by admin on Sat Dec 16 15:43:48 UTC 2023 , Edited by admin on Sat Dec 16 15:43:48 UTC 2023

PRIMARY

Related Record Type Details

6822A07436

CEFTIOFUR HYDROCHLORIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: