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Substance Name: 1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-1-propyl-4-pyridinyl)-, (E)-2-butenedioate (2:1)
RN: 72808-66-3
InChIKey: UWKIRYCXIFDPJQ-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H44-N4-O2.C4-H4-O4

Molecular Weight

  • 656.8192
 
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Names and Synonyms

Synonym

  • 5-Methoxy-3-(1,2,3,6-tetrahydro-1-propyl-4-pyridinyl)-1H-indole (E)-2-butenedioate (2:1)

Systematic Name

  • 1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-1-propyl-4-pyridinyl)-, (E)-2-butenedioate (2:1)

Registry Numbers

CAS Registry Number

  • 72808-66-3

System Generated Number

  • 0072808663

Molecular Formulas

Molecular Formula

  • C34-H44-N4-O2.C4-H4-O4

Molecular Formula Fragments

  • C34-H44-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H22N2O.C4H4O4/c2*1-3-8-19-9-6-13(7-10-19)16-12-18-17-5-4-14(20-2)11-15(16)17;5-3(6)1-2-4(7)8/h2*4-6,11-12,18H,3,7-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

UWKIRYCXIFDPJQ-WXXKFALUSA-N

Smiles

CCCN1CCC(=CC1)c2c[nH]c3c2cc(cc3)OC.CCCN1CCC(=CC1)c2c[nH]c3c2cc(cc3)OC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 33, 1987.