- Reserpine
- Reserpine phosphate
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| Name |
Reserpine phosphate |
EINECS | N/A |
| CAS No. | 1263-94-1 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C33H40N2O9•7H3O4P | Boiling Point | 700.1°Cat760mmHg |
| Molecular Weight | 1294.75 | Flash Point | 377.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of POx and NOx. See also RESERPINE. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Reserpine phosphate Chemical Properties
Molecule structure of Reserpine phosphate (CAS NO.1263-94-1) :
.gif)
Molecular Weight: 706.673881 g/mol
Molecular Formula: C33H43N2O13P
Boiling Point: 700.1 °C at 760 mmHg
Flash Point: 377.2 °C
Enthalpy of Vaporization: 102.48 kJ/mol
Vapour Pressure: 1.91E-19 mmHg at 25 °C
H-Bond Donor: 4
H-Bond Acceptor: 14
Rotatable Bond Count: 10
Exact Mass: 706.250276
MonoIsotopic Mass: 706.250276
Topological Polar Surface Area: 196
Heavy Atom Count: 49
Complexity: 1050
Defined Atom StereoCenter Count: 6
Canonical SMILES: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC.OP(=O)(O)O
Isomeric SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC.OP(=O)(O)O
InChI: InChI=1S/C33H40N2O9.H3O4P/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19;1-5(2,3)4/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;(H3,1,2,3,4)/t18-,22+,24-,27-,28+,31+;/m1./s1
InChIKey of Reserpine phosphate (CAS NO.1263-94-1) : DDFUAKBZKZESMV-BQTSRIDJSA-N
Reserpine phosphate Toxicity Data With Reference
| 1. | ivn-rat LD50:28 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 138 (1962),78. |
Reserpine phosphate Safety Profile
Poison by intravenous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of POx and NOx. See also RESERPINE.
Reserpine phosphate Specification
Reserpine phosphate (CAS NO.1263-94-1) is also called 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-
hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester), phosphate .
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