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Substance Name: 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-3-methyl-2-(oxiranylmethyl)-
RN: 111050-76-1
InChIKey: XPDFHRHIAGXKSC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-N2-O3

Molecular Weight

  • 378.4694
 
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Names and Synonyms

Synonyms

  • 1-(3,4-Dimethoxyphenyl)-2-(2,3-epoxypropyl)-3-methyl-1,2,3,4-tetrahydro-beta-carboline
  • 2,3,4,9-Tetrahydro-1-(3,4-dimethoxyphenyl)-3-methyl-2-(oxiranylmethyl)-1H-pyrido(3,4-b)indole
  • BRN 5776609

Systematic Name

  • 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-1-(3,4-dimethoxyphenyl)-3-methyl-2-(oxiranylmethyl)-

Registry Numbers

CAS Registry Number

  • 111050-76-1

System Generated Number

  • 0111050761

Structure Descriptors

InChI

1S/C23H26N2O3/c1-14-10-18-17-6-4-5-7-19(17)24-22(18)23(25(14)12-16-13-28-16)15-8-9-20(26-2)21(11-15)27-3/h4-9,11,14,16,23-24H,10,12-13H2,1-3H3

InChIKey

XPDFHRHIAGXKSC-UHFFFAOYSA-N

Smiles

CC1Cc2c3ccccc3[nH]c2C(N1CC4CO4)c5ccc(c(c5)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 414, 1987.