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Molecule structure of Timepidium bromide (CAS NO.35035-05-3) :
IUPAC Name: 3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethylpiperidin-1-ium bromide
Molecular Weight: 400.39668 g/mol
Molecular Formula: C17H22BrNOS2
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 399.032618
MonoIsotopic Mass: 399.032618
Topological Polar Surface Area: 9.2
Heavy Atom Count: 22
Complexity: 390
Canonical SMILES: C[N+]1(CC(CC(=C(C2=CC=CS2)C3=CC=CS3)C1)OC)C.[Br-]
InChI: InChI=1S/C17H22NOS2.BrH/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16;/h4-9,14H,10-12H2,1-3H3;1H/q+1;/p-1
InChIKey: QTSXMEPZSHLZFF-UHFFFAOYSA-M
Timepidium bromide (CAS NO.35035-05-3) is an anticholinergic. The quaternary nitrogen prevents it from crossing the blood brain barrier, so it is peripherally acting with no central side effects.
1. | orl-rat LD50:1213 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 22 (1972),685. | ||
2. | scu-rat LD50:252 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 22 (1972),685. | ||
3. | ipr-rat LD50:55 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 22 (1972),685. | ||
4. | ivn-rat LD50:7 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 23 (1982),461. | ||
5. | orl-mus LD50:713 mg/kg | JMCMAR Journal of Medicinal Chemistry. 15 (1972),914. | ||
6. | ipr-mus LD50:97 mg/kg | JMCMAR Journal of Medicinal Chemistry. 15 (1972),914. | ||
7. | scu-mus LD50:145 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 22 (1972),685. | ||
8. | ivn-mus LD50:12 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 22 (1972),685. | ||
9. | ims-mus LD50:199 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),351. |
Poison by intramuscular, subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx, SOx, and Br−.
Timepidium bromide (CAS NO.35035-05-3) is also called 1,1-Dimethyl-5-methoxy-3-(dithien-2-ylmethylene)-piperidinium bromide ; Bromure de timepidium ; Bromure de timepidium [INN-French] ; Bromuro de timepidio ; Bromuro de timepidio [INN-Spanish] ; N-Methyl-5-methoxy-3-piperidylidenedithienylmethane methobromide ; SA 50 Y ; SA 504 ; Timepidii bromidum ; Timepidii bromidum [INN-Latin] ; UNII-8R9E4766V4 ; 3-(Di-2-thienylmethylene)-5-methoxy-1,1-dimethyl-piperidinium bromide; Piperidinium, 3-(di-2-thienylmethylene)-5-methoxy-1,1-dimethyl-, bromide .