Structural Formula Vector Image
Title: Isometheptene
CAS Registry Number: 503-01-5
CAS Name: N,6-Dimethyl-5-hepten-2-amine
Additional Names: N,1,5-trimethyl-4-hexenylamine; 6-methylamino-2-methylheptene; 2-methyl-6-methylamino-2-heptene; methylisooctenylamine; methyloctenylamine
Trademarks: Octin (Knoll); Octon; Octanil
Molecular Formula: C9H19N
Molecular Weight: 141.25
Percent Composition: C 76.53%, H 13.56%, N 9.92%
Line Formula: (CH3)2C=CHCH2CH2CH(NHCH3)CH3
Literature References: Prepn: Klavehn, Wolf, US 2230753; US 2230754 (both 1941 to E. Bilhuber). Toxicity data: Walton et al., J. Pharmacol. Exp. Ther. 92, 214 (1948).
Properties: Colorless, oily liq; characteristic amine odor. Strong base. Volatile with steam. d 0.795. bp 176-178°; bp7 58-59°. nD15 1.4472. Practically insol in water. Freely sol in alc, ether, acetone, chloroform.
Boiling point: bp 176-178°; bp7 58-59°
Index of refraction: nD15 1.4472
Density: d 0.795
Derivative Type: Hydrochloride
CAS Registry Number: 6168-86-1
Molecular Formula: C9H19N.HCl
Molecular Weight: 177.71
Percent Composition: C 60.83%, H 11.34%, N 7.88%, Cl 19.95%
Properties: Crystals, very hygroscopic, mp 68-69°. Sol in water, alc. LD50 in mice (mg/kg): 17.5 i.v.; 171 s.c. (Walton).
Melting point: mp 68-69°
Toxicity data: LD50 in mice (mg/kg): 17.5 i.v.; 171 s.c. (Walton)
Derivative Type: Bitartrate (acid tartrate)
Molecular Formula: C13H25NO6
Molecular Weight: 291.34
Percent Composition: C 53.59%, H 8.65%, N 4.81%, O 32.95%
Properties: Crystals, mp 78-80° (preliminary sintering). Freely sol in water, alcohol.
Melting point: mp 78-80° (preliminary sintering)
Derivative Type: Mucate
Molecular Formula: C24H48N2O8
Molecular Weight: 492.65
Percent Composition: C 58.51%, H 9.82%, N 5.69%, O 25.98%
Properties: Bitter crystals, mp 152° (rapid heating). Freely sol in water. Soly in alc about 5 g/100 ml. Almost insol in ether, chloroform. LD50 orally in dogs: 148 mg/kg (Walton).
Melting point: mp 152° (rapid heating)
Toxicity data: LD50 orally in dogs: 148 mg/kg (Walton)
Therap-Cat: Adrenergic.
Therap-Cat-Vet: Sympathomimetic. Antispasmodic for gut and urinary tract.
Keywords: a-Adrenergic Agonist.

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