5-DESTHIOLYL-5-THIOXO CEFOPERAZONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H27N9O8S2
Molecular Weight	645.667
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-DESTHIOLYL-5-THIOXO CEFOPERAZONE

Structure Search

SMILES

[H][C@]12SCC(CN3N=NN(C)C3=S)=C(N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N4CCN(CC)C(=O)C4=O)C5=CC=C(O)C=C5)C(O)=O

InChI

InChIKey=LGKWYRNERXMLTN-XCGNWRKASA-N

InChI=1S/C25H27N9O8S2/c1-3-31-8-9-32(21(39)20(31)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(11-44-22(16)34)10-33-25(43)30(2)28-29-33/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H27N9O8S2
Molecular Weight	645.667
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:30:59 GMT 2023` Edited by `admin` on `Sat Dec 16 18:30:59 GMT 2023`
Record UNII	WN35C7MDY7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-DESTHIOLYL-5-THIOXO CEFOPERAZONE

Common Name

English

CEFOPERAZONE SODIUM IMPURITY B [EP IMPURITY]

Common Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((4,5-DIHYDRO-4-METHYL-5-THIOXO-1H-TETRAZOL-1-YL)METHYL)-7-(((2R)-2-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-8-OXO-, (6R,7R)-

Systematic Name

English

(6R,7R)-3-((4,5-DIHYDRO-4-METHYL-5-THIOXO-1H-TETRAZOL-1-YL)METHYL)-7-(((2R)-2-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30747577

Created by admin on Sat Dec 16 18:30:59 GMT 2023 , Edited by admin on Sat Dec 16 18:30:59 GMT 2023

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PUBCHEM

71315826

Created by admin on Sat Dec 16 18:30:59 GMT 2023 , Edited by admin on Sat Dec 16 18:30:59 GMT 2023

PRIMARY

CAS

711598-76-4

Created by admin on Sat Dec 16 18:30:59 GMT 2023 , Edited by admin on Sat Dec 16 18:30:59 GMT 2023

PRIMARY

FDA UNII

WN35C7MDY7

Created by admin on Sat Dec 16 18:30:59 GMT 2023 , Edited by admin on Sat Dec 16 18:30:59 GMT 2023

PRIMARY

Related Record Type Details


					5FQG9774WD

CEFOPERAZONE SODIUM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: