| Identification | More | [Name]
[2-(2-Amino-6-chloro-9H-purin-9-yl)ethyl]propanedioic acid dimethyl ester | [CAS]
172529-93-0 | [Synonyms]
[2-(2-Amino-6-chloro-9H-purin-9-yl)ethyl]propanedioic acid dimethyl ester
Dimethyl [2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]malonate | [EINECS(EC#)]
1312995-182-4 | [Molecular Formula]
C12H14ClN5O4 | [MDL Number]
MFCD13194844 | [Molecular Weight]
327.72 | [MOL File]
172529-93-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
115-116 °C | [Boiling point ]
557.0±60.0 °C(Predicted) | [density ]
1.59 | [pka]
12.36±0.59(Predicted) | [InChI]
InChI=1S/C12H14ClN5O4/c1-21-10(19)6(11(20)22-2)3-4-18-5-15-7-8(13)16-12(14)17-9(7)18/h5-6H,3-4H2,1-2H3,(H2,14,16,17) | [InChIKey]
SALNWJHEVGXTER-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C(CCN1C2C(N=C1)=C(Cl)N=C(N)N=2)C(OC)=O | [CAS DataBase Reference]
172529-93-0(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Uses]
Dimethyl 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]malonate is an impurity of Valacyclovir (V085000), a L-Valine ester prodrug of Acyclovir. |
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