Ceftibuten Related Impurity 4

Details

Stereochemistry	MIXED
Molecular Formula	C28H26N2O5S
Molecular Weight	502.581
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ceftibuten Related Impurity 4

Structure Search

SMILES

OC1CS[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N2C1C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=JSNDVKXNQUBARH-DKVGFKEGSA-N

InChI=1S/C28H26N2O5S/c31-21-17-36-27-23(29-22(32)16-18-10-4-1-5-11-18)26(33)30(27)24(21)28(34)35-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,23-25,27,31H,16-17H2,(H,29,32)/t21?,23-,24?,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H26N2O5S
Molecular Weight	502.581
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	2 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:53:34 GMT 2025` Edited by `admin` on `Wed Apr 02 18:53:34 GMT 2025`
Record UNII	U5V8U98AUH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-, diphenylmethyl ester, (6R,7R)-

Preferred Name

English

Ceftibuten Related Impurity 4

Common Name

English

5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-, diphenylmethyl ester, [6R-(6?,7?)]-

Systematic Name

English

Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systematic Name

English

Code System Code Type Description

CAS

51762-51-7

Created by admin on Wed Apr 02 18:53:34 GMT 2025 , Edited by admin on Wed Apr 02 18:53:34 GMT 2025

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FDA UNII

U5V8U98AUH

Created by admin on Wed Apr 02 18:53:34 GMT 2025 , Edited by admin on Wed Apr 02 18:53:34 GMT 2025

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EPA CompTox

DTXSID50722144

Created by admin on Wed Apr 02 18:53:34 GMT 2025 , Edited by admin on Wed Apr 02 18:53:34 GMT 2025

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PUBCHEM

13644573

Created by admin on Wed Apr 02 18:53:34 GMT 2025 , Edited by admin on Wed Apr 02 18:53:34 GMT 2025

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