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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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.
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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
(6
R
,7
R
)-
7-
{[(2
R
)-
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-
[(2
R
)-
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·H
2
O
ChEBI
Cephalexin
KEGG COMPOUND
cephalexin hydrate
DrugBank
Cephalexin monohydrate
KEGG COMPOUND
cephalexin·H
2
O
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