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Adenosine-5'-(N-isopropyl)carboxamide

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Name

Adenosine-5'-(N-isopropyl)carboxamide

EINECS N/A
CAS No. 35788-29-5 Density 1.79g/cm3
PSA 148.41000 LogP -0.47560
Solubility N/A Melting Point N/A
Formula C13H18N6O4 Boiling Point °Cat760mmHg
Molecular Weight 322.37 Flash Point °C
Transport Information N/A Appearance N/A
Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 35788-29-5 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-(propan-2-yl)tetrahydrofuran-2-carboxamide (non-preferred name)) Hazard Symbols N/A
Synonyms

1-(6-amino-purin-9-yl)-β-D-1-deoxy-ribofuranuronic acid isopropylamide;ADENOSINE-5-(N-ISOPROPYL)CARBOXAMIDE;Adenosin-5'-carbonsaeure-N-isopropylamid;

Article Data 4

Adenosine-5'-(N-isopropyl)carboxamide Chemical Properties

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

Adenosine-5'-(N-isopropyl)carboxamide Toxicity Data With Reference

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.

Adenosine-5'-(N-isopropyl)carboxamide Safety Profile

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

Adenosine-5'-(N-isopropyl)carboxamide Specification

 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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