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Substance Name: 5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro-5-(3-(dimethylamino)propyl)-, (Z)-2-butenedioate(1:1) (salt)
RN: 35047-60-0
InChIKey: CIHYPCNARKNOEN-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N-O.C4-H4-O4

Molecular Weight

  • 363.451
 
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Names and Synonyms

Synonyms

  • 5-(3-Dimethylaminopropyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol hydrogen maleate
  • 6,7,8,9-Tetrahydro-5-(3-(dimethylamino)propyl)-5H-benzocyclohepten-5-ol maleate

Systematic Name

  • 5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro-5-(3-(dimethylamino)propyl)-, (Z)-2-butenedioate(1:1) (salt)

Registry Numbers

CAS Registry Number

  • 35047-60-0

System Generated Number

  • 0035047600

Molecular Formulas

Molecular Formula

  • C16-H25-N-O.C4-H4-O4

Molecular Formula Fragments

  • C16-H25-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25NO.C4H4O4/c1-17(2)13-7-12-16(18)11-6-5-9-14-8-3-4-10-15(14)16;5-3(6)1-2-4(7)8/h3-4,8,10,18H,5-7,9,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

CIHYPCNARKNOEN-BTJKTKAUSA-N

Smiles

c12[C@@](CCCCc1cccc2)(CCC[NH+](C)C)O.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60mg/kg (60mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 1611, 1971.