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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:59495 - cidofovir dihydrate
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ChEBI Name
cidofovir dihydrate
ChEBI ID
CHEBI:59495
Definition
The dihydrate of the anhydrous form of cidofovir. A nucleoside analogue, it is an injectable antiviral used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H18N3O8P
Net Charge
0
Average Mass
315.21760
Monoisotopic Mass
315.08315
InChI
InChI=1S/C8H14N3O6P.2H2O/c9-
7-
1-
2-
11(8(13)
10-
7)
3-
6(4-
12)
17-
5-
18(14,15)
16;;/h1-
2,6,12H,3-
5H2,(H2,9,10,13)
(H2,14,15,16)
;2*1H2/t6-
;;/m0../s1
InChIKey
FPKARFMSZDBYQF-ILKKLZGPSA-N
SMILES
O.O.Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1
Roles Classification
Biological Role
(s):
antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
Application
(s):
antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cidofovir dihydrate (
CHEBI:59495
)
has part
cidofovir anhydrous (
CHEBI:3696
)
cidofovir dihydrate (
CHEBI:59495
)
has role
antineoplastic agent (
CHEBI:35610
)
cidofovir dihydrate (
CHEBI:59495
)
has role
antiviral drug (
CHEBI:36044
)
cidofovir dihydrate (
CHEBI:59495
)
is a
hydrate (
CHEBI:35505
)
IUPAC Name
({[(2
S
)-
1-
(4-
amino-
2-
oxopyrimidin-
1(2
H
)-
yl)-
3-
hydroxypropan-
2-
yl]oxy}methyl)phosphonic acid—water (1/2)
INN
Source
cidofovir
ChemIDplus
Synonyms
Sources
(((
S
)-
2-
(4-
amino-
2-
oxo-
1(2
H
)-
pyrimidinyl)-
1-
(hydroxymethyl)ethoxy)methyl)phosphonic acid, dihydrate
ChemIDplus
({[(2
S
)-
1-
(4-
amino-
2-
oxopyrimidin-
1(2
H
)-
yl)-
3-
hydroxypropan-
2-
yl]oxy}methyl)phosphonic acid dihydrate
IUPAC
1-((
S
)-3-hydroxy-2-(phosphonomethoxy)propyl)cytosine dihydrate
ChemIDplus
cidofovir hydrate
ChemIDplus
Manual Xrefs
Databases
D00273
KEGG DRUG
DB00369
DrugBank
EP253412
Patent
US5142051
Patent
View more database links
Registry Number
Type
Source
149394-66-1
CAS Registry Number
ChemIDplus
Last Modified
17 May 2010