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Substance Name: 5H-Dibenzo(a,d)cyclohepten-5-ol, 3-chloro-5-(3-dimethylaminopropyl)-, hydrogen phosphate
RN: 69782-27-0
InChIKey: SMTKHZQWESINGI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-Cl-N-O.H3-O4-P

Molecular Weight

  • 425.846
 
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Names and Synonyms

Synonym

  • 3-Chloro-5-(3-dimethylaminopropyl)-5H-dibenzo(a,d)cyclohepten-5-ol hydrogen phosphate

Systematic Name

  • 5H-Dibenzo(a,d)cyclohepten-5-ol, 3-chloro-5-(3-dimethylaminopropyl)-, hydrogen phosphate

Registry Numbers

CAS Registry Number

  • 69782-27-0

System Generated Number

  • 0069782270

Molecular Formulas

Molecular Formula

  • C20-H22-Cl-N-O.H3-O4-P

Molecular Formula Fragments

  • C20-H22-Cl-N-O
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C20H22ClNO.H3O4P/c1-22(2)13-5-12-20(23)18-7-4-3-6-15(18)8-9-16-10-11-17(21)14-19(16)20;1-5(2,3)4/h3-4,6-11,14,23H,5,12-13H2,1-2H3;(H3,1,2,3,4)

InChIKey

SMTKHZQWESINGI-UHFFFAOYSA-N

Smiles

c12[C@@](c3c(cccc3)C=Cc1ccc(c2)Cl)(CCC[NH+](C)C)O.P(O)(O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 85mg/kg (85mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 338, 1963.