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Substance Name: 2-Propanol, 1-(2-(3-(1H-indol-4-yl)propyl)phenoxy)-3-(propylamino)-, (E)-2-butenedioate(2:1) (salt)
RN: 109920-85-6
InChIKey: VZOLHIFCBXKDMD-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H60-N4-O4.C4-H4-O4

Molecular Weight

  • 849.0756
 
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Names and Synonyms

Synonym

  • 1-(2-(3-(1H-Indol-4-yl)propyl)phenoxy)-3-propylamino-2-propanol fumarate

Systematic Name

  • 2-Propanol, 1-(2-(3-(1H-indol-4-yl)propyl)phenoxy)-3-(propylamino)-, (E)-2-butenedioate(2:1) (salt)

Registry Numbers

CAS Registry Number

  • 109920-85-6

System Generated Number

  • 0109920856

Molecular Formulas

Molecular Formula

  • C46-H60-N4-O4.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C46-H60-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C23H30N2O2.C4H4O4/c2*1-2-14-24-16-20(26)17-27-23-12-4-3-7-19(23)10-5-8-18-9-6-11-22-21(18)13-15-25-22;5-3(6)1-2-4(7)8/h2*3-4,6-7,9,11-13,15,20,24-26H,2,5,8,10,14,16-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

VZOLHIFCBXKDMD-WXXKFALUSA-N

Smiles

CCCNCC(COc1ccccc1CCCc2cccc3c2cc[nH]3)O.CCCNCC(COc1ccccc1CCCc2cccc3c2cc[nH]3)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4808609,