The Promethazine theoclate, with the CAS registry number 17693-51-5, is also known as Teoclato de prometazina. Its EINECS registry number is 241-691-0. This chemical's molecular formula is C₁₇H₂₀N₂S^.C₇H₇ClN₄O₂and molecular weight is 499.03. Its IUPAC name and systematic name are the same which is called 8-chloro-1,3-dimethyl-7H-purine-2,6-dione; N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of Promethazine theoclate: (1)ACD/LogP: 4.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 3.07; (6)ACD/BCF (pH 7.4): 83.45; (7)ACD/KOC (pH 5.5): 11.53; (8)ACD/KOC (pH 7.4): 313.03; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 31.78 Ä²; (12)Flash Point: 198 °C; (13)Enthalpy of Vaporization: 65.51 kJ/mol; (14)Boiling Point: 403.7 °C at 760 mmHg; (15)Vapour Pressure: 9.96E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl
(2)InChI: InChI=1S/C17H20N2S.C7H7ClN4O2/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11,13H,12H2,1-3H3;1-2H3,(H,9,10)
(3)InChIKey: YCXARMXCESBEDS-UHFFFAOYSA-N

The toxicity data is as follows: