Metabolites-BOC Sciences

Adechlorin

Adechlorin - CAS 96328-17-5

Catalog number: BBF-00032

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Catalog Number BBF-00032
CAS 96328-17-5
Description Adechlorin is a nucleoside compound produced from Actinomadura sp. OMR-37. Adechlorin, a new adenosine deaminase inhibitor containing chlorine production, isolation and properties.
Molecular Formula C11H15ClN4O4
Molecular Weight 302.71
Synonyms 2'-Chloropentostatin; 2'-Cldcf; 2'-Chloro-2'-deoxycoformycin
IUPAC Name (8R)-3-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
Canonical SMILES C1C(C2=C(NC=N1)N(C=N2)C3C(C(C(O3)CO)O)Cl)O
InChI InChI=1S/C11H15ClN4O4/c12-7-9(19)6(2-17)20-11(7)16-4-15-8-5(18)1-13-3-14-10(8)16/h3-7,9,11,17-19H,1-2H2,(H,13,14)/t5-,6-,7-,9-,11-/m1/s1
InChI Key JYWSHPMZFVPRRF-AMFMTJJISA-N
Boiling Point 695.2±65.0 °C at 760 mmHg
Melting Point 125-131°C
Purity >98%
Density 1.9±0.1 g/cm3
Solubility Soluble in DMSO
Appearance Colorless needle Crystal
Storage Store at 2-8°C
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