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Substance Name: Dibenzo(b,e)thiepin-11(6H)-one, 6-(3-(dimethylamino)propyl)-, 5,5-dioxide, hydrochloride, hydrate
RN: 23772-22-7
InChIKey: WVKNUTGOJLSBJY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N-O3-S.Cl-H.H2-O

Molecular Weight

  • 379.906
 
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Names and Synonyms

Synonym

  • 6-(3-Dimethylaminopropyl)-6,11-dihydrodibenzo(b,e)thiepin-11-one 5,5-dioxide HCl hydrate

Systematic Name

  • Dibenzo(b,e)thiepin-11(6H)-one, 6-(3-(dimethylamino)propyl)-, 5,5-dioxide, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 23772-22-7

System Generated Number

  • 0023772227

Molecular Formulas

Molecular Formula

  • C19-H21-N-O3-S.Cl-H.H2-O

Molecular Formula Fragments

  • C19-H21-N-O3-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H21NO3S.ClH/c1-20(2)13-7-12-17-14-8-3-4-9-15(14)19(21)16-10-5-6-11-18(16)24(17,22)23;/h3-6,8-11,17H,7,12-13H2,1-2H3;1H

InChIKey

WVKNUTGOJLSBJY-UHFFFAOYSA-N

Smiles

c12[C@@H](S(c3ccccc3C(c1cccc2)=O)(=O)=O)CCC[NH+](C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

BEHAVIORAL: GENERAL ANESTHETIC
Collection of Czechoslovak Chemical Communications. Vol. 34, Pg. 1278, 1969.