CAS No.14009-24-6,Drotaverin hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14009-24-6
Name:	Drotaverin hydrochloride
Article Data:	2

Formula:	C₂₄H₃₁NO₄
Molecular Weight:	433.975
Synonyms:	Isoquinoline,1-(3,4-diethoxybenzylidene)-6,7-diethoxy-1,2,3,4-tetrahydro- (8CI);1-(3,4-Diethoxybenzylidene)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline;3',4',6,7-Tetraethoxy-1-benzyliden-1,2,3,4-tetrahydroisoquinoline;3',4',6,7-Tetraethoxy-1-benzylidene-1,2,3,4-tetrahydroisoquinoline;Drotaverin;Drotaverine;Isodihydroperparine;Perparine, isodihydro-;(1Z)-1-(3,4-diethoxybenzylidene)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline;Drotaverina;1-Benzyl-3',4',6,7-tetraethoxy-1,2,3,4-tetrahydroisoquinoline;
EINECS:	604-171-8
Density:	1.097 g/cm³
Melting Point:	184 -188ºC
Boiling Point:	564 °C at 760 mmHg
Flash Point:	240.7 °C
Solubility:	13.75g/L(37 oC)
Appearance:	Pale yellow powder
PSA:	48.95000
LogP:	5.25400

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Specification

The DRA, with the CAS registry number 14009-24-6, has the systematic name of (1Z)-1-(3,4-diethoxybenzylidene)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline. It belongs to the following product categories: Dyes and Pigments; Organics. And the molecular formula of the chemical is C₂₄H₃₁NO₄.

The physical properties of DRA are as followings: (1)ACD/LogP: 6.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.41; (4)ACD/LogD (pH 7.4): 6.12; (5)ACD/BCF (pH 5.5): 5056.02; (6)ACD/BCF (pH 7.4): 26126.13; (7)ACD/KOC (pH 5.5): 9615.99; (8)ACD/KOC (pH 7.4): 49689.02; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 40.16 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 117.66 cm³; (15)Molar Volume: 362.1 cm³; (16)Polarizability: 46.64×10^-24cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.097 g/cm³; (19)Flash Point: 240.7 °C; (20)Enthalpy of Vaporization: 84.75 kJ/mol; (21)Boiling Point: 564 °C at 760 mmHg; (22)Vapour Pressure: 9.61E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1OCC)\C=C3\c2c(cc(OCC)c(OCC)c2)CCN3)CC
(2)InChI: InChI=1/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3/b20-13-
(3)InChIKey: OMFNSKIUKYOYRG-MOSHPQCFBI