-
Name
(4aalpha,5beta,8aalpha)-N-(Decahydro-2-methyl-5-isoquinolinyl)-3,4,5-trimethoxybenzamide
- EINECS
- CAS No. 19590-85-3
- Article Data2
- CAS DataBase
- Density 1.16g/cm3
- Solubility
- Melting Point
- Formula C20H30N2O4
- Boiling Point 459.9°C at 760 mmHg
- Molecular Weight 362.52
- Flash Point 231.9°C
- Transport Information
- Appearance
- Safety Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
cis-N-(Decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxybenzamide Chemical Properties
IUPAC Name: N-[(4aR,8aR)-2-Methyl-3,4,4a,5,6,7,8,8a-Octahydro-1H-isoquinolin-5-yl]-3,4,5-trimethoxybenzamide
Following is the structure of cis-N-(Decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxybenzamide (CAS NO.19590-85-3):
Empirical Formula: C20H30N2O4
Molecular Weight: 362.4632 g/mol
Surface Tension: 46.9 dyne/cm
Index of Refraction: 1.557
Flash Point: 231.9 °C
Enthalpy of Vaporization: 72.05 kJ/mol
Boiling Point: 459.9 °C at 760 mmHg
Vapour Pressure: 1.22E-08 mmHg at 25 °C
Density of cis-N-(Decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxybenzamide (CAS NO.19590-85-3): 1.16 g/cm3
Canonical SMILES: CN1CCC2C(C1)CCCC2NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
Isomeric SMILES: CN1CC[C@@H]2[C@H](C1)CCCC2NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI: InChI=1S/C20H30N2O4/c1-22-9-8-15-13(12-22)6-5-7-16(15)21-20(23)14-10-17(24-2)19(26-4)18(11-14)25-3/h10-11,13,15-16H,5-9,12H2,1-4H3,(H,21,23)/t13-,15+,16?/m0/s1
InChIKey: QZGOPRYNEGQTLA-GVJPCGBOSA-N
cis-N-(Decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxybenzamide Toxicity Data With Reference
| 1. | ipr-mus LD50:278 mg/kg | DECRDP Drugs under Experimental and Clinical Research. 10 (1984),197. | ||
| 2. | ivn-dog LDLo:40 mg/kg | DECRDP Drugs under Experimental and Clinical Research. 10 (1984),197. | ||
| 3. | ivn-rbt LDLo:31,600 µg/kg | DECRDP Drugs under Experimental and Clinical Research. 10 (1984),197. |
cis-N-(Decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxybenzamide Safety Profile
Poison by intravenous and intraperitoneal routes. When heated to decomposition, cis-N-(Decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxybenzamide (CAS NO.19590-85-3) emits toxic fumes of NOx.
cis-N-(Decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxybenzamide Specification
cis-N-(Decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxybenzamide , its cas register number is 19590-85-3. It also can be called cis-5,9,10-H-5-(3,4,5-Trimethoxybenzamido)-2-methyldecahydroisoquinoline ; and Benzamide, N-(decahydro-2-methyl-5-isoquinolyl)-3,4,5-trimethoxy-, cis- . Its classification code is Drug / Therapeutic Agent.
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