| Identification | Back Directory | [Name]
Cladribine Impurity D | [CAS]
5542-92-7 | [Synonyms]
1-epi-cladribine
Cladribine Impurity D
Cladribine Impurity 4
Cladribine EP Impurity D
2-chloro-9-(2′-deoxy-α-D-ribofuranosyl)adenine
Cladribine Impurity 4(Cladribine EP Impurity D)
5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
(2R,3S,5S)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol | [Molecular Formula]
C10H12ClN5O3 | [MOL File]
5542-92-7.mol | [Molecular Weight]
285.69 |
| Chemical Properties | Back Directory | [Melting point ]
>173°C (dec.) | [Boiling point ]
597.6±60.0 °C(Predicted) | [density ]
2.03±0.1 g/cm3(Predicted) | [storage temp. ]
-20°C Freezer | [solubility ]
Aqueous Acid (Slightly, Sonicated), DMF (Slightly, Sonicated), DMSO (Slightly), | [form ]
Solid | [pka]
13.75±0.60(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6-/s3 | [InChIKey]
PTOAARAWEBMLNO-BAGWKGPINA-N | [SMILES]
NC1=NC(Cl)=NC2N([C@@H]3C[C@H](O)[C@@H](CO)O3)C=NC1=2 |&1:8,10,12,r| |
|
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