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Substance Name: Benz(cd)indole, 1,2,6,7,8,8a-hexahydro-1-(3-(dimethylamino)propyl)-, hydrochloride, hydrate (1:2:1)
RN: 20904-12-5
InChIKey: CYOXEJJTXRBODX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N2.2Cl-H.H2-O

Molecular Weight

  • 317.301
 
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Names and Synonyms

Synonyms

  • 1,2,6,7,8,8a-Hexahydro-1-(3-(dimethylamino)propyl)benz(cd)indole dihydrochloride hydrate
  • 1-(3-Dimethylaminopropyl)-1,2,6,7,8,8a-hexahydrobenz(c,d)indole dihydrochloride monohydrate

Systematic Name

  • Benz(cd)indole, 1,2,6,7,8,8a-hexahydro-1-(3-(dimethylamino)propyl)-, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 20904-12-5

System Generated Number

  • 0020904125

Molecular Formulas

Molecular Formula

  • C16-H24-N2.2Cl-H.H2-O

Molecular Formula Fragments

  • C16-H24-N2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H24N2.2ClH/c1-17(2)10-5-11-18-12-14-8-3-6-13-7-4-9-15(18)16(13)14;;/h3,6,8,15H,4-5,7,9-12H2,1-2H3;2*1H

InChIKey

CYOXEJJTXRBODX-UHFFFAOYSA-N

Smiles

C1[N@@]([C@@H]2CCCc3cccc1c23)CCCN(C)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 44mg/kg (44mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 33, Pg. 2111, 1968.