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Product Name: Tiapamil hydrochloride (CAS NO.67418-30-8)
Molecular Formula: C26H38ClNO8S2
Molecular Weight: 592.1648g/mol
Mol File: 67418-30-8.mol
Boiling point: 750.9 °C at 760 mmHg
Flash Point: 407.9 °C
Enthalpy of Vaporization: 109.44 kJ/mol
Vapour Pressure: 1.97E-22 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 9
Structure Descriptors of Tiapamil hydrochloride (CAS NO.67418-30-8):
IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[3-[2-(3,4-dimethoxyphenyl)-1,1,3,3-tetraoxo-1,3-dithian-2-yl]propyl]-methylazanium chloride
Canonical SMILES: C[NH+](CCCC1(S(=O)(=O)CCCS1(=O)=O)C2=CC(=C(C=C2)OC)OC)CCC3=CC(=C(C=C3)OC)OC.[Cl-]
InChI: InChI=1S/C26H37NO8S2.ClH/c1-27(15-12-20-8-10-22(32-2)24(18-20)34-4)14-6-13-26(36(28,29)16-7-17-37(26,30)31)21-9-11-23(33-3)25(19-21)35-5;/h8-11,18-19H,6-7,12-17H2,1-5H3;1H
InChIKey: FEEDFNKRGAKOFI-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1401, 1981. | |
mouse | LD50 | intravenous | 40mg/kg (40mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1401, 1981. | |
mouse | LD50 | oral | 581mg/kg (581mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1401, 1981. | |
mouse | LD50 | subcutaneous | 347mg/kg (347mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1401, 1981. | |
rat | LD50 | intraperitoneal | 455mg/kg (455mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1401, 1981. | |
rat | LD50 | intravenous | 84mg/kg (84mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1401, 1981. | |
rat | LD50 | oral | 1803mg/kg (1803mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1401, 1981. | |
rat | LD50 | subcutaneous | 546mg/kg (546mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1401, 1981. |
Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of SOx, NOx, and HCl.
Tiapamil hydrochloride ,its CAS NO. is 67418-30-8,the synonyms is Dimeditiapramine ; EINECS 260-511-1 ; Larocord ; Ro 11-1781 ; Tiapamil HCl ; ((3,4-Dimethoxyphenethyl)(2-(2,3-dimethoxyphenyl)-1,3-dithian-2-yl)propyl)methylammonium chloride 1,1,3,3-tetraoxide ; 1,3-Dithiane-2-propanamine, 2-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methyl-, 1,1,3,3-tetraoxide, hydrochloride ; m-Dithiane-2-propylamine, N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)-N-methyl-, 1,1,3,3-tetraoxide, hydrochloride .