4,5-Dihydrocephradine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H21N3O4S
Molecular Weight	351.421
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CCCCC3)C2=O)C(O)=O

InChI

InChIKey=BNLDYUJJDMUOPZ-UEKVPHQBSA-N

InChI=1S/C16H21N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h5,10-11,15H,2-4,6-7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

4,5-Dihydrocephradine

Common Name

English

SCE-100

Preferred Name

English

Cefradine Impurity 1

Common Name

English

7-[?-Amino(D-1?-cyclohexenyl)acetamido]-3-deacetoxycephalosporanic acid

Systematic Name

English

4',5'-Dihydrocephradine

Common Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-amino-1-cyclohexen-1-ylacetyl]amino]-3-methyl-8-oxo-, (6R,7R)-

Systematic Name

English

3-Deacetoxy-7-(?-amino-1-cyclohexenylacetamido)cephalosporanic acid

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(amino-1-cyclohexen-1-ylacetyl)amino]-3-methyl-8-oxo-, [6R-[6?,7?(R*)]]-

Systematic Name

English

Code System Code Type Description

CAS

37051-00-6

Created by admin on Wed Apr 02 17:22:22 GMT 2025 , Edited by admin on Wed Apr 02 17:22:22 GMT 2025

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FDA UNII

H7H4MPM5Y9

Created by admin on Wed Apr 02 17:22:22 GMT 2025 , Edited by admin on Wed Apr 02 17:22:22 GMT 2025

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EPA CompTox

DTXSID30958222

Created by admin on Wed Apr 02 17:22:22 GMT 2025 , Edited by admin on Wed Apr 02 17:22:22 GMT 2025

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PUBCHEM

101668599

Created by admin on Wed Apr 02 17:22:22 GMT 2025 , Edited by admin on Wed Apr 02 17:22:22 GMT 2025

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SUBSTANCE RECORD


					H7H4MPM5Y9

4,5-Dihydrocephradine