ChemicalBook--->CAS DataBase List--->5542-92-7

5542-92-7

5542-92-7 Structure

5542-92-7 Structure
IdentificationBack 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 PropertiesBack 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|
Hazard InformationBack Directory
[Uses]

1’-epi-Cladribine is an impurity of Cladribine (C557500), a substituted purine nucleoside with antileukemic activity.
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