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Substance Name: 1-Benzothiepin-5-propanamine, 2,3,4,5-tetrahydro-N,N-dimethyl-5-phenyl-, sulfate (1:1)
RN: 37014-83-8
InChIKey: UGDNRBHZCNXAAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-S.H2-O4-S

Molecular Weight

  • 423.595
 
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Names and Synonyms

Synonyms

  • 2,3,4,5-Tetrahydro-N,N-dimethyl-5-phenyl-1-benzothiepin-5-propanamine sulfate
  • 5-(3-Dimethylaminopropyl)-5-phenyl-2,3,4,5-tetrahydro-1-benzothiepin hydrogen sulfate

Systematic Name

  • 1-Benzothiepin-5-propanamine, 2,3,4,5-tetrahydro-N,N-dimethyl-5-phenyl-, sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 37014-83-8

System Generated Number

  • 0037014838

Molecular Formulas

Molecular Formula

  • C21-H27-N-S.H2-O4-S

Molecular Formula Fragments

  • C21-H27-N-S
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C21H27NS.H2O4S/c1-22(2)16-8-14-21(18-10-4-3-5-11-18)15-9-17-23-20-13-7-6-12-19(20)21;1-5(2,3)4/h3-7,10-13H,8-9,14-17H2,1-2H3;(H2,1,2,3,4)

InChIKey

UGDNRBHZCNXAAT-UHFFFAOYSA-N

Smiles

c12[C@@](c3ccccc3)(CCCSc1cccc2)CCC[NH+](C)C.S(O)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 49mg/kg (49mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 1195, 1972.