-
Name
(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(cyclopropylmethyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)
- EINECS
- CAS No. 58048-25-2
- Article Data2
- CAS DataBase
- Density 1.98g/cm3
- Solubility
- Melting Point
- Formula C14H18N6O4
- Boiling Point °Cat760mmHg
- Molecular Weight 334.38
- Flash Point °C
- Transport Information
- Appearance
- Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Adenosine-5'-(N-cyclopropylmethyl)carboxamide Chemical Properties
The Molecular Structure of Adenosine-5'-(N-cyclopropylmethyl)carboxamide (CAS NO.58048-25-2):
Molecular Formula: C14H18N6O4
Molecular Weight: 334.330520 g/mol
Classification:Drug / Therapeutic Agent
IUPAC: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(cyclopropylmethyl)-3,4-dihydroxyoxolane-2-carboxamide
Nominal Mass: 334 Da
Average Mass: 334.3305 Da
Monoisotopic Mass: 334.138953 Da
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -0.12
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 20.36
ACD/KOC (pH 7.4): 20.66
Polar Surface Area: 94.84Å2
Index of Refraction: 1.906
Molar Refractivity: 78.9 cm3
Molar Volume: 168.6 cm3
Surface Tension: 99.1 dyne/cm
Density: 1.98 g/cm3
Smiles: N(C([C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c(ncnc12)N)=O)CC1CC1
Adenosine-5'-(N-cyclopropylmethyl)carboxamide Toxicity Data With Reference
| 1. | orl-mus LD50:200 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),313. | ||
| 2. | ipr-mus LD50:20 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),313. |
Adenosine-5'-(N-cyclopropylmethyl)carboxamide Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Adenosine-5'-(N-cyclopropylmethyl)carboxamide Specification
Adenosine-5'-(N-cyclopropylmethyl)carboxamide (CAS NO.58048-25-2) is also called as 1-(6-Amino-9H-purin-9-yl)-N-cyclopropylmethyl-1-deoxyribofuranuronamide ; BRN 0583762 ; Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-N-cyclopropylmethyl-1-deoxy- .
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