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Substance Name: 1-Naphthalenemethanamine, 1,2,3,4-tetrahydro-8-ethyl-N-(2-phenylethyl)-, (Z)-2-butenedioate
RN: 102147-05-7
InChIKey: WCQHPCLYNKQEQL-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N.C4-H4-O4

Molecular Weight

  • 409.523
 
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Names and Synonyms

Synonyms

  • 1,2,3,4-Tetrahydro-8-ethyl-N-(2-phenylethyl)-1-naphthalenemethanamine maleate
  • 8-Ethyl-1-(2-phenylethylamino)methyl-1,2,3,4-tetrahydronaphthalene hydrogen maleate

Systematic Name

  • 1-Naphthalenemethanamine, 1,2,3,4-tetrahydro-8-ethyl-N-(2-phenylethyl)-, (Z)-2-butenedioate

Registry Numbers

CAS Registry Number

  • 102147-05-7

System Generated Number

  • 0102147057

Molecular Formulas

Molecular Formula

  • C21-H27-N.C4-H4-O4

Molecular Formula Fragments

  • C21-H27-N
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N.C4H4O4/c1-2-18-10-6-11-19-12-7-13-20(21(18)19)16-22-15-14-17-8-4-3-5-9-17;5-3(6)1-2-4(7)8/h3-6,8-11,20,22H,2,7,12-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

WCQHPCLYNKQEQL-BTJKTKAUSA-N

Smiles

c12c(CCC[C@@H]1C[NH2+]CCc1ccccc1)cccc2CC.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. 50, Pg. 1888, 1985.