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Substance Name: Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1)
RN: 25858-68-8
InChIKey: ZHGUPFBMXRZICY-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H27-N.C4-H4-O4

Molecular Weight

  • 349.468
 
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Names and Synonyms

Synonyms

  • 3769 CB
  • 4-Heptyl-alpha-methylbenzeneethanamine (Z)-2-butenedioate (1:1)
  • Methyl-1 (heptyl-4 phenyl)-2 ethyl amine maleate
  • Methyl-1 (heptyl-4 phenyl)-2 ethyl amine maleate [French]

Systematic Name

  • Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 25858-68-8

System Generated Number

  • 0025858688

Molecular Formulas

Molecular Formula

  • C16-H27-N.C4-H4-O4

Molecular Formula Fragments

  • C16-H27-N
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H27N.C4H4O4/c1-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14(2)17;5-3(6)1-2-4(7)8/h9-12,14H,3-8,13,17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

ZHGUPFBMXRZICY-BTJKTKAUSA-N

Smiles

N[C@@H](Cc1ccc(CCCCCCC)cc1)C.C(\C=C/C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   French Medicament Patent Document. Vol. #2563M,