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Basic Information
CAS No.: 19877-89-5
Name: vincanol
Molecular Structure:
Molecular Structure of 19877-89-5 (vincanol)
Formula: C19H24N2O
Molecular Weight: 296.412
Synonyms: Vincanol(8CI);(-)-14-Isoeburnamine;(-)-Isoeburnamine;(-)-Vincanol;RGH 4406;cis-Vincanol;
EINECS: 243-388-9
Density: 1.35 g/cm3
Melting Point: 108-110 °C
Boiling Point: 484.4 °C at 760 mmHg
Flash Point: 246.8 °C
PSA: 28.40000
LogP: 3.56320
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Specification

With the CAS registry number 19877-89-5, it is also named as (3-alpha,14-alpha,16-alpha)-14,15-Dihydroeburnamenin-14-ol; Vincanolum. The EINECS of this chemical is 243-388-9. The classification code is drug / therapeutic agent. The price of this product changes with the market.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 39; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.719; (13)Molar Refractivity: 86.475 cm3; (14)Molar Volume: 219.236 cm3; (15)Polarizability: 34.281×10-24 cm3; (16)Surface Tension: 54.339 dyne/cm; (17)Enthalpy of Vaporization: 78.969 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 296.188863; (21)MonoIsotopic Mass: 296.188863; (22)Topological Polar Surface Area: 28.4; (23)Heavy Atom Count: 22.

People can use the following data to convert to the molecule structure.
1. SMILES: O[C@@H]3n1c4c(c2ccccc12)CCN5CCC[C@](C3)(CC)[C@@H]45;
2. InChI: InChI=1/C19H24N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,16,18,22H,2,5,8-12H2,1H3/t16-,18+,19-/m0/s1.

The following is the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 370mg/kg (370mg/kg)   French Demande Patent Document. Vol. #2319362,