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Substance Name: 1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-(1H-indol-4-yl)-, (E)-2-butenedioate (2:1) (salt)
RN: 109947-21-9
InChIKey: LEHREMZJOFLRFF-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H56-N4-O6.C4-H4-O4

Molecular Weight

  • 877.042
 
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Names and Synonyms

  • 1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-(1H-indol-4-yl)-, (E)-2-butenedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 109947-21-9

System Generated Number

  • 0109947219

Molecular Formulas

Molecular Formula

  • C46-H56-N4-O6.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C46-H56-N4-O6
  • COMPONENT

Structure Descriptors

InChI

1S/2C23H28N2O3.C4H4O4/c2*1-2-13-24-15-18(26)16-28-23-9-4-3-7-20(23)22(27)11-10-17-6-5-8-21-19(17)12-14-25-21;5-3(6)1-2-4(7)8/h2*3-9,12,14,18,24-26H,2,10-11,13,15-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

LEHREMZJOFLRFF-WXXKFALUSA-N

Smiles

CCCNCC(COc1ccccc1C(=O)CCc2cccc3c2cc[nH]3)O.CCCNCC(COc1ccccc1C(=O)CCc2cccc3c2cc[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 > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4808609,