B-HT 920 DIHYDROCHLORIDE

The IUPAC name of Talipexole dihydrochloride is 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine dihydrochloride. With the CAS registry number 36085-73-1, it is also named as 6-Allyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine-2-amine dihydrochloride. The product's categories are All Inhibitors; Inhibitors; Intermediates & Fine Chemicals; Neurochemicals; Pharmaceuticals; Adrenoceptor. Besides, it is light yellow solid, which should be stored in closed, cool, dry and ventilated place. And it is harmful if swallowed. In addition, this chemical is Dopamine receptor agonist which is used as an antiparkinson reagent.

The other characteristics of Talipexole dihydrochloride can be summarized as: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.84; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.79; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 62.24; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.61 Å²; (13)Flash Point: 174.3 °C; (14)Melting point: 245 °C; (15)Solubility: H₂O: >20 mg/mL; (16)Enthalpy of Vaporization: 61.08 kJ/mol; (17)Boiling Point: 364.6 °C at 760 mmHg; (18)Vapour Pressure: 1.66E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cl.Cl.n1c2c(sc1N)CCN(CC2)C\C=C
(2)InChI:InChI=1/C10H15N3S.2ClH/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8;;/h2H,1,3-7H2,(H2,11,12);2*1H
(3)InChIKey:DPQAXNSOFFYKDS-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C10H15N3S.2ClH/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8;;/h2H,1,3-7H2,(H2,11,12);2*1H
(5)Std. InChIKey:DPQAXNSOFFYKDS-UHFFFAOYSA-N

The toxicity data is as follows: