-
Name
(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-[2-(dimethylamino)ethyl]-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)
- EINECS
- CAS No. 35788-31-9
- Article Data3
- CAS DataBase
- Density 1.7g/cm3
- Solubility
- Melting Point 165 - 167 °C (ethanol)
- Formula C14H21N7O4
- Boiling Point 485.17°C (rough estimate)
- Molecular Weight 351.42
- Flash Point
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Adenosin-5'-carbonsaeure-N-(2-dimethylaminoethyl)-amid;(2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-dimethylamino-ethyl)-amide;
- PSA 151.65000
- LogP -1.32240
Adenosine-5'-(N-(2-(dimethylamino)ethyl))carboxamide Chemical Properties
The Molecular Structure of Adenosine-5'-(N-(2-(dimethylamino)ethyl))carboxamide (CAS NO.35788-31-9):
Molecular Formula: C14H21N7O4
Molecular Weight: 351.361040 g/mol
Classification: Drug / Therapeutic Agent
Density: 1.7 g/cm3
IUPAC: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(2-dimethylaminoethyl)-3,4-dihydroxyoxolane-2-carboxamide
ACD/LogP: -0.86
Nominal Mass: 351 Da
Average Mass: 351.361 Da
Monoisotopic Mass: 351.165502 Da
Polar Surface Area: 98.08Å2
Index of Refraction: 1.762
Molar Refractivity: 85.03 cm3
Molar Volume: 206.2 cm3
Surface Tension: 74.6 dyne/cm
Smiles: O=C([C@H]1O[C@@H](n2c3c(nc2)c(ncn3)N)[C@@H](O)[C@@H]1O)NCCN(C)C
Adenosine-5'-(N-(2-(dimethylamino)ethyl))carboxamide Toxicity Data With Reference
| 1. | orl-mus LD50:500 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-(2-(dimethylamino)ethyl))carboxamide Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Adenosine-5'-(N-(2-(dimethylamino)ethyl))carboxamide Specification
Adenosine-5'-(N-(2-(dimethylamino)ethyl))carboxamide (CAS NO.35788-31-9) is also called as 1-(6-Amino-9H-purin-9-yl)-N-(2-(dimethylamino)ethyl)-1-deoxyribofuranuronamide ; BRN 0632124 ; Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-N-(2-
(dimethylamino)ethyl)-1-deoxy- .
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