CHEBI:3535 - cephalexin monohydrate

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ChEBI Name cephalexin monohydrate
ChEBI ID CHEBI:3535
Definition A hydrate of cephalexin consisting of equimolar amounts of hydrate and cephalexin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H17N3O4S.H2O
Net Charge 0
Average Mass 365.40400
Monoisotopic Mass 365.10454
InChI InChI=1S/C16H17N3O4S.H2O/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;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1
InChIKey AVGYWQBCYZHHPN-CYJZLJNKSA-N
SMILES O.[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(O)=O
Roles Classification
Biological Role(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cephalexin monohydrate (CHEBI:3535) has part cephalexin (CHEBI:3534)
cephalexin monohydrate (CHEBI:3535) has role antibacterial drug (CHEBI:36047)
cephalexin monohydrate (CHEBI:3535) is a hydrate (CHEBI:35505)
IUPAC Names
(6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid—water (1/1)
7β-[(2R)-2-amino-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid—water (1/1)
Synonyms Sources
7-(D-α-amino-α-phenylacetamido)-3-methyl-3-cephem-4-carboxylic acid monohydrate ChemIDplus
cefalexin hydrate ChEBI
cefalexin monohydrate ChEBI
cefalexin·H2O ChEBI
Cephalexin KEGG COMPOUND
cephalexin hydrate DrugBank
Cephalexin monohydrate KEGG COMPOUND
cephalexin·H2O ChEBI
Manual Xrefs Databases
C08099 KEGG COMPOUND
D00906 KEGG DRUG
DB00567 DrugBank
View more database links
Registry Numbers Types Sources
23325-78-2 CAS Registry Number ChemIDplus
8175806 Beilstein Registry Number Beilstein
Last Modified
21 August 2017