The Molecular Structure of Adenosine-5'-(N-isopropyl)carboxamide (CAS NO.35788-29-5):
Molecular Formula: C13H18N6O4
Molecular Weight: 322.319820 g/mol
Classification: Drug / Therapeutic Agent
IUPAC: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propan-2-yloxolane-2-carboxamide
Density: 1.79 g/cm3
Index of Refraction: 1.796
Molar Refractivity: 76.47 cm3
Molar Volume: 179.3 cm3
Surface Tension: 78.1 dyne/cm
Nominal Mass: 322 Da
Average Mass: 322.3198 Da
Monoisotopic Mass: 322.138953 Da
ACD/LogP: -0.13
Smiles: O=C([C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H]([C@@H]1O)O)NC(C)C
1. | orl-mus LD50:5 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),313. | ||
2. | ipr-mus LD50:5 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),313. |
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Adenosine-5'-(N-isopropyl)carboxamide (CAS NO.35788-29-5) is also called as 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-isopropylribofuranuronamide ; BRN 0630717 ; Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-isopropyl- .
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