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Dexanabinol
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Name

Dexanabinol

 EINECS N/A
CAS No. 112924-45-5 Density 1.03g/cm3
PSA 49.69000 LogP 6.22350
Solubility DMSO: soluble Melting Point 141-142°
Formula C25H38O3 Boiling Point 470.1 °C at 760 mmHg
Molecular Weight 386.575 Flash Point 238.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 112924-45-5 (1,1-Dimethylheptyl-11-hydroxytetrahydrocannabinol) Hazard Symbols N/A
Synonyms

6H-Dibenzo[b,d]pyran-9-methanol,3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-,(6aS-trans)-;Dexanabinol;HU 211;PRS 211007-000;Sinnabidiol;

Article Data 2

Dexanabinol Specification

The Dexanabinol is an organic compound with the formula C25H38O3. The IUPAC name of this chemical is (6aS,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol. With the CAS registry number 112924-45-5, it is also named as 6H-Dibenzo[b,d]pyran-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-, (6aS,10aS)-. The product's classification code are Anti-Arrhythmia Agents; Antiemetics; Autonomic Agents; Cardiovascular Agents; Central Nervous System Agents; Excitatory Amino Acid Agents; Excitatory amino acid antagonists; Gastrointestinal Agents; Neuroprotective Agents; Neurotransmitter Agents; Peripheral Nervous System Agents; Protective Agents. Besides, it is widely used in scientific research as well as currently being studied for practical applications such as treatment of head injury or stroke., which should be stored at temperature of -20 °C.

Physical properties about Dexanabinol are: (1)ACD/LogP: 8.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.19; (4)ACD/LogD (pH 7.4): 8.19; (5)ACD/BCF (pH 5.5): 988774.25; (6)ACD/BCF (pH 7.4): 984180.81; (7)ACD/KOC (pH 5.5): 680537.25; (8)ACD/KOC (pH 7.4): 677375.69; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 115.11 cm3; (15)Molar Volume: 375.2 cm3; (16)Polarizability: 45.63×10-24cm3; (17)Surface Tension: 37.3 dyne/cm; (18)Density: 1.03 g/cm3; (19)Flash Point: 238.1 °C; (20)Enthalpy of Vaporization: 77.18 kJ/mol; (21)Boiling Point: 470.1 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2cc(cc1OC([C@H]3C/C=C(\C[C@@H]3c12)CO)(C)C)C(C)(C)CCCCCC
(2)InChI: InChI=1/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m0/s1
(3)InChIKey: SSQJFGMEZBFMNV-PMACEKPBBA
(4)Std. InChI: InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m0/s1
(5)Std. InChIKey: SSQJFGMEZBFMNV-PMACEKPBSA-N