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Substance Name: 1-Propanamine, N,N-dimethyl-3-(phenyl(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methoxy)-, (Z)-2-butenedioate, hydrate (2:2:1)
RN: 51490-51-8
InChIKey: WOVFUZUVTDYLKM-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N-O.C4-H4-O4.1/2H2-O

Molecular Weight

  • 453.5755
 
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Names and Synonyms

  • 1-Propanamine, N,N-dimethyl-3-(phenyl(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methoxy)-, (Z)-2-butenedioate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 51490-51-8

System Generated Number

  • 0051490518

Molecular Formulas

Molecular Formula

  • C23-H31-N-O.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C23-H31-N-O
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H31NO.C4H4O4/c1-24(2)16-9-17-25-23(20-11-6-4-7-12-20)22-15-14-19-10-5-3-8-13-21(19)18-22;5-3(6)1-2-4(7)8/h4,6-7,11-12,14-15,18,23H,3,5,8-10,13,16-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

WOVFUZUVTDYLKM-WLHGVMLRSA-N

Smiles

CN(C)CCCOC(c1ccccc1)c2ccc3c(c2)CCCCC3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 37500ug/kg (37.5mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 2768, 1973.