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35920-40-2

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Basic Information
CAS No.: 35920-40-2
Name: (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-cyclopentyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)
Article Data: 5
Molecular Structure:
Molecular Structure of 35920-40-2 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-cyclopentyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name))
Formula: C15H20 N6 O4
Molecular Weight: 348.362
Density: 1.88g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
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Chemistry

Empirical Formula of Adenosine-5'-(N-cyclopentyl)carboxamide (CAS NO.35920-40-2): C15H20N6O4
Molecular Weight: 348.3571 g/mol
Index of Refraction: 1.864
Density: 1.88 g/cm3
Structure of Adenosine-5'-(N-cyclopentyl)carboxamide (CAS NO.35920-40-2):
                         
IUPAC Name: (2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-N-cyclopentyl-3,4-dihydroxyoxolane-2-carboxamide
Canonical SMILES: C1CCC(C1)NC(=O)C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O
Isomeric SMILES: C1CCC(C1)NC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O
InChI: InChI=1S/C15H20N6O4/c16-12-8-13(18-5-17-12)21(6-19-8)15-10(23)9(22)11(25-15)14(24)20-7-3-1-2-4-7/h5-7,9-11,15,22-23H,1-4H2,(H,20,24)(H2,16,17,18)/t9-,10+,11-,15+/m0/s1
InChIKey: ISNMLOJARGEFLK-BQVMBELUSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:200 mg/kg

    JMCMAR    Journal of Medicinal Chemistry. 23 (1980),313.
2.    

ipr-mus LD50:200 mg/kg

    JMCMAR    Journal of Medicinal Chemistry. 23 (1980),313.

Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Adenosine-5'-(N-cyclopentyl)carboxamide (CAS NO.35920-40-2) also can be called Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-N-cyclopentyl-1-deoxy- ; and 1-(6-Amino-9H-purin-9-yl)-N-cyclopentyl-1-deoxyribofuranuronamide .