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Cidofovir dihydrate

CAT: 0127-BUP06684-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06684-01Size:5 mg
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CAS Number
149394-66-1
Synonyms
HPMPC, (S) -HPMPC, GS 0504
Purity
=98%
Smiles
O.Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1

Chemical Information

(S)-(((1-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)methyl)phosphonic Acid Dihydrate

Cidofovir dihydrate is 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. It has a role as an antineoplastic agent and an antiviral drug. It contains a member of cidofovir anhydrous.

CAS Number149394-66-1
PubChem CID60933
IUPAC Name[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;dihydrate
Molecular FormulaC8H18N3O8P
Molecular Weight315.22
Topological Polar Surface Area148
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity417
SMILES
C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O.O.O
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
Chemical Structure
2D Structure
2D structure of (S)-(((1-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)methyl)phosphonic Acid Dihydrate
CAS: 149394-66-1
CID: 60933
Formula: C8H18N3O8P
MW: 315.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.22
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass315.08315154
Monoisotopic Mass315.08315154
Topological Polar Surface Area148 Ų
Heavy Atom Count20
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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