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Substance Name: 2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-((1,2-diphenyl-1H-indol-4-yl)oxy)-, hexanedioate (1:1) (salt)
RN: 76410-37-2
InChIKey: DSINAWJMLCDECA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H34-N2-O4.C6-H10-O4

Molecular Weight

  • 668.7826
 
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Names and Synonyms

  • 2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-((1,2-diphenyl-1H-indol-4-yl)oxy)-, hexanedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 76410-37-2

System Generated Number

  • 0076410372

Molecular Formulas

Molecular Formula

  • C33-H34-N2-O4.C6-H10-O4

Molecular Formula Fragments

  • C33-H34-N2-O4
  • C6-H10-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C33H34N2O4.C6H10O4/c1-37-32-17-16-24(20-33(32)38-2)18-19-34-22-27(36)23-39-31-15-9-14-29-28(31)21-30(25-10-5-3-6-11-25)35(29)26-12-7-4-8-13-26;7-5(8)3-1-2-4-6(9)10/h3-17,20-21,27,34,36H,18-19,22-23H2,1-2H3;1-4H2,(H,7,8)(H,9,10)

InChIKey

DSINAWJMLCDECA-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)CCNCC(COc2cccc3c2cc(n3c4ccccc4)c5ccccc5)O.C(CCC(=O)O)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 21mg/kg (21mg/kg)   Pharmaceutical Chemistry Journal Vol. 14, Pg. 794, 1980.