AG001LO2

149394-66-1 | Phosphonic acid, P-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, hydrate (1:2)

AG001LO2

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CAS Number	149394-66-1
Catalog Number	AG001LO2(AGN-PC-0Q38D8)
Chemical Name	Phosphonic acid, P-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, hydrate (1:2)
IUPAC Name	[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;dihydrate
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
InChI Key	FPKARFMSZDBYQF-ILKKLZGPSA-N
MDL Number	MFCD16556167
Molecular Formula	C8H18N3O8P
Molecular Weight	315.2176
SMILES	OC[C@@H](OCP(O)(O)=O)CN1C=CC(N)=NC1=O.[H]O[H].[H]O[H]
UNII	JIL713Q00N
Synonyms	1-((3-hydroxy-2-phosphonylmethoxy)propyl)cytosine, 1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine, cidofovir, cidofovir anhydrous, cidofovir sodium, cidofovir, (+-)-isomer, cidofovir, (R)-isomer, cidofovir, sodium salt, GS 504, GS-504, GS504, HPMPC, Vistide, Cidofovir dihydrate, 149394-66-1, Cidofovir hydrate, Cidofovir (dihydrate), Cidofovir hydrate (1:2), UNII-JIL713Q00N, DRG-0145, 1-((S)-3-Hydroxy-2-(phosphonomethoxy)propyl)cytosine dihydrate, JIL713Q00N, (((S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)phosphonic acid, dihydrate, GS-0504, ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid dihydrate, ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid--water (1/2), Phosphonic acid, ((2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, dihydrate, (S)-, Cidofovir [USAN:INN], Cidofovir [USAN:INN:BAN], C8H14N3O6P.2H2O, AK187418, Vistide (TN), Cidofovir (USAN/INN), AC1L1U6O, AC1Q6C69, SCHEMBL2946561, DTXSID6041002, CHEBI:59495, BCP07716, 2320AH, CC0161, HY-17438A, MFCD16556167, AKOS015892576, AC-8194, API0019049, CS-1908, SC-92250, AB0073007, AB2000730, LS-173351, FT-0688263, D00273, 78801-EP2305640A2, 78801-EP2305695A2, 78801-EP2305696A2, 78801-EP2305697A2, 78801-EP2305698A2, I03-1527, {[(1s)-2-(4-amino-2-oxopyrimidin-1(2h)-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphons, ({[(2S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid dihydrate, [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid dihydrate, P-[[(1S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]phosphonic acid hydrate (1:2), Phosphonic acid, P-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, hydrate (1:2), Cidofovir, Vistide, C8H14N3O6P, CID60933, C8-H14-N3-O6-P.2H2-O, B1238, Cidofovir hydrate, GS-0504, GS-504, HPMPC, Forvade, Vistide, CDV,

Complexity	417
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	315.083g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	315.219g/mol
Monoisotopic Mass	315.083g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	148A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number