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Substance Name: 3-Azetidinamine, 1-(6,11-dihydro-2-methoxydibenzo(b,e)thiepin-11-yl)-N-methyl-
RN: 69159-39-3
InChIKey: BQXLPRSXZWRFIQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N2-O-S

Molecular Weight

  • 310.3948
 
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Names and Synonyms

Synonym

  • 1-(6,11-Dihydro-2-methoxydibenzo(b,e)thiepin-11-yl)-N-methyl-3-azetidinamine

Systematic Name

  • 3-Azetidinamine, 1-(6,11-dihydro-2-methoxydibenzo(b,e)thiepin-11-yl)-N-methyl-

Registry Numbers

CAS Registry Number

  • 69159-39-3

System Generated Number

  • 0069159393

Structure Descriptors

InChI

1S/C19H22N2O2/c1-21(10-14(20)11-21)19-16-6-4-3-5-13(16)12-23-18-8-7-15(22-2)9-17(18)19/h3-9,14,19H,1,10-12,20H2,2H3

InChIKey

BQXLPRSXZWRFIQ-UHFFFAOYSA-N

Smiles

COc1ccc2c(c1)C(c3ccccc3CO2)N4(=C)CC(C4)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 183, 1979.