Molecular Identity
Cephradine
(6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
PubChem CID: 38103
Cephradine is a first-generation cephalosporin antibiotic with a methyl substituent at position 3, and a (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamido substituent at position 7, of the cephem skeleton. It has a role as an antibacterial drug. It is a cephalosporin and a beta-lactam antibiotic allergen.
2D Structure
Properties
C16H19N3O4S
Molecular Formula
349.40
Molecular Weight
g/mol
349.1096
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
138
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
697
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)OIsomeric SMILES
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)OSynonyms(20)
cephradineCefradine38821-53-3CephradinAnsporSefrilVelosefCefradinaEskacefCefradinumSQ 11436Cephradine anhydrousDTXSID4022785SQ-11436(6R,7R)-7-((R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cephradine
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