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Substance Name: 3-Buten-1-amine, N,N-dimethyl-4-phenyl-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, (Z)-2-butenedioate (1:1)
RN: 51490-62-1
InChIKey: HGOQQKHJWLFTAX-RSFWZEFYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N.C4-H4-O4

Molecular Weight

  • 435.561
 
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Names and Synonyms

Synonym

  • 1-Phenyl-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-4-dimethylaminobutene maleate

Systematic Name

  • 3-Buten-1-amine, N,N-dimethyl-4-phenyl-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 51490-62-1

System Generated Number

  • 0051490621

Molecular Formulas

Molecular Formula

  • C23-H29-N.C4-H4-O4

Molecular Formula Fragments

  • C23-H29-N
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29N.C4H4O4/c1-24(2)17-9-14-23(20-11-6-4-7-12-20)22-16-15-19-10-5-3-8-13-21(19)18-22;5-3(6)1-2-4(7)8/h4,6-7,11-12,14-16,18H,3,5,8-10,13,17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b23-14+;2-1-

InChIKey

HGOQQKHJWLFTAX-RSFWZEFYSA-N

Smiles

c1(\C(c2ccccc2)=C\CC[NH+](C)C)cc2c(CCCCC2)cc1.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 2768, 1973.