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Details

Stereochemistry MIXED
Molecular Formula C16H17N3O4S
Molecular Weight 347.389
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cephalexin Diketopiperazine

SMILES

CC1=C(NC(SC1)C2NC(=O)C(NC2=O)C3=CC=CC=C3)C(O)=O

InChI

InChIKey=BGVLRSBBXLRVEG-UHFFFAOYSA-N
InChI=1S/C16H17N3O4S/c1-8-7-24-15(19-10(8)16(22)23)12-14(21)17-11(13(20)18-12)9-5-3-2-4-6-9/h2-6,11-12,15,19H,7H2,1H3,(H,17,21)(H,18,20)(H,22,23)

HIDE SMILES / InChI

Molecular Formula C16H17N3O4S
Molecular Weight 347.389
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
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
WD44VU9BZP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3,6-Dioxo-5-phenyl-2-piperazinyl)-3,6-dihydro-5-methyl-2H-1,3-thiazine-4-carboxylic acid
Preferred Name English
Cephalexin Diketopiperazine
Common Name English
2H-1,3-Thiazine-4-carboxylic acid, 2-(3,6-dioxo-5-phenyl-2-piperazinyl)-3,6-dihydro-5-methyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
71314639
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
WD44VU9BZP
Created by admin on Wed Apr 02 18:53:34 GMT 2025 , Edited by admin on Wed Apr 02 18:53:34 GMT 2025
PRIMARY
CAS
59865-11-1
Created by admin on Wed Apr 02 18:53:34 GMT 2025 , Edited by admin on Wed Apr 02 18:53:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID30747310
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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