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Substance Name: 3H-7,12b-Methanodibenz(c,e)azocin-3-one, 5,6,7,8-tetrahydro-2,10-dimethoxy-6-(2-(3,4-dimethoxyphenyl)ethyl)-, hydrochloride, hydrate (2:2:1) (+-)-
RN: 75398-33-3
InChIKey: FWLMBLZUGMFLCM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H31-N-O5.Cl-H.1/2H2-O

Molecular Weight

  • 498.0158
 
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Names and Synonyms

  • 3H-7,12b-Methanodibenz(c,e)azocin-3-one, 5,6,7,8-tetrahydro-2,10-dimethoxy-6-(2-(3,4-dimethoxyphenyl)ethyl)-, hydrochloride, hydrate (2:2:1) (+-)-

Registry Numbers

CAS Registry Number

  • 75398-33-3

System Generated Number

  • 0075398333

Molecular Formulas

Molecular Formula

  • C28-H31-N-O5.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C28-H31-N-O5
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H31NO5.ClH/c1-31-22-6-7-23-19(13-22)12-21-15-28(23)16-27(34-4)24(30)14-20(28)17-29(21)10-9-18-5-8-25(32-2)26(11-18)33-3;/h5-8,11,13-14,16,21H,9-10,12,15,17H2,1-4H3;1H

InChIKey

FWLMBLZUGMFLCM-UHFFFAOYSA-N

Smiles

COc1ccc2c(c1)CC3CC24C=C(C(=O)C=C4CN3CCc5ccc(c(c5)OC)OC)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   European Patent Application. Vol. #0011483,