CEFACLOMEZINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H27ClN4O4S3
Molecular Weight	555.133
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SCC(CSC(=S)N3CC[N+](C)(C)CC3)=C(N1C(=O)[C@H]2NC(=O)CC4=CC(Cl)=CC=C4)C([O-])=O

InChI

InChIKey=ZWTPTPWLMRXLJE-WIYYLYMNSA-N

InChI=1S/C23H27ClN4O4S3/c1-28(2)8-6-26(7-9-28)23(33)35-13-15-12-34-21-18(20(30)27(21)19(15)22(31)32)25-17(29)11-14-4-3-5-16(24)10-14/h3-5,10,18,21H,6-9,11-13H2,1-2H3,(H-,25,29,31,32)/t18-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H27ClN4O4S3
Molecular Weight	555.133
Charge	0
Count

Stereochemistry	EPIMERIC
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 09:42:30 GMT 2023` Edited by `admin` on `Sat Dec 16 09:42:30 GMT 2023`
Record UNII	7PHG6N6UM8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEFACLOMEZINE

Common Name

English

PIPERAZINIUM, 4-((((2-CARBOXY-7-(((3-CHLOROPHENYL)ACETYL)AMINO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)THIO)THIOXOMETHYL)-1,1-DIMETHYL-, INNER SALT

Systematic Name

English

CEPHACHLOMEZINE

Common Name

English

PIPERAZINIUM, 4-(DITHIOCARBOXY)-1,1-DIMETHYL-, HYDROXIDE, ESTER WITH 7-(2-(M-CHLOROPHENYL)ACETAMIDO)-3-(MERCAPTOMETHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, INNER SALT

Systematic Name

English

PIPERAZINIUM, 4-(((((6R,7R)-2-CARBOXY-7-(((3-CHLOROPHENYL)ACETYL)AMINO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)THIO)THIOXOMETHYL)-1,1-DIMETHYL-, INNER SALT

Systematic Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(2-(M-CHLOROPHENYL)ACETAMIDO)-3-(MERCAPTOMETHYL)-8-OXO-, ESTER WITH 4-(DITHIOCARBOXY)-1,1-DIMETHYLPIPERAZINIUM HYDROXIDE, INNER SALT

Systematic Name

English

Code System Code Type Description

PUBCHEM

193012

Created by admin on Sat Dec 16 09:42:30 GMT 2023 , Edited by admin on Sat Dec 16 09:42:30 GMT 2023

PRIMARY

EPA CompTox

DTXSID30945213

Created by admin on Sat Dec 16 09:42:30 GMT 2023 , Edited by admin on Sat Dec 16 09:42:30 GMT 2023

PRIMARY

FDA UNII

7PHG6N6UM8

Created by admin on Sat Dec 16 09:42:30 GMT 2023 , Edited by admin on Sat Dec 16 09:42:30 GMT 2023

PRIMARY

CAS

22561-27-9

Created by admin on Sat Dec 16 09:42:30 GMT 2023 , Edited by admin on Sat Dec 16 09:42:30 GMT 2023

PRIMARY

Related Record Type Details


					7PHG6N6UM8

CEFACLOMEZINE

ACTIVE MOIETY