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Substance Name: 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-(3-(2-chlorophenothiazin-10-yl)propyl)-, dihydrochloride
RN: 5798-10-7
InChIKey: PQSZOWZHNIWCCB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-Cl-N3-O-S.2Cl-H

Molecular Weight

  • 502.935
 
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Names and Synonyms

  • 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-(3-(2-chlorophenothiazin-10-yl)propyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 5798-10-7

System Generated Number

  • 0005798107

Molecular Formulas

Molecular Formula

  • C23-H28-Cl-N3-O-S.2Cl-H

Molecular Formula Fragments

  • C23-H28-Cl-N3-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28ClN3OS.2ClH/c24-17-6-9-23-21(14-17)27(20-4-1-2-5-22(20)29-23)11-3-10-26-18-7-8-19(26)16-25(15-18)12-13-28;;/h1-2,4-6,9,14,18-19,28H,3,7-8,10-13,15-16H2;2*1H

InChIKey

PQSZOWZHNIWCCB-UHFFFAOYSA-N

Smiles

C1[C@@H]2CC[C@@H](CN1CCO)N2CCCN1c2ccccc2Sc2ccc(cc12)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 836, 1969.