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Substance Name: Benzenemethanol, alpha-((methyl(1-methylethyl)amino)methyl)-, (E)-2-butenedioate (2:1)
RN: 80222-45-3
InChIKey: KRZQLNJOFNNBPK-KSBRXOFISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H38-N2-O2.C4-H4-O4

Molecular Weight

  • 502.6478
 
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Names and Synonyms

Synonyms

  • alpha-((Methyl(1-methylethyl)amino)methyl)benzenemethanol (E)-2-butenedioate (2:1)
  • CRL 40676
  • N-Methyl-N-isopropyl-2-amino-1-phenyl-1-ethanol fumarate
  • N-Methyl-N-isopropyl-2-amino-1-phenyl-1-ethanol fumarate [French]

Systematic Name

  • Benzenemethanol, alpha-((methyl(1-methylethyl)amino)methyl)-, (E)-2-butenedioate (2:1)

Registry Numbers

CAS Registry Number

  • 80222-45-3

System Generated Number

  • 0080222453

Molecular Formulas

Molecular Formula

  • C24-H38-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C24-H38-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C12H19NO.C4H4O4/c2*1-11(2)13(3)10-14-9-12-7-5-4-6-8-12;5-3(6)1-2-4(7)8/h2*4-8,11H,9-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1-

InChIKey

KRZQLNJOFNNBPK-KSBRXOFISA-N

Smiles

CC(C)N(C)COCc1ccccc1.CC(C)N(C)COCc1ccccc1.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2460668,
mouse LD50 intraperitoneal 117mg/kg (117mg/kg)   French Demande Patent Document. Vol. #2460668,
mouse LD50 oral 340mg/kg (340mg/kg)   French Demande Patent Document. Vol. #2460668,
rat LD50 intraperitoneal 188mg/kg (188mg/kg)   French Demande Patent Document. Vol. #2460668,
rat LD50 oral 390mg/kg (390mg/kg)   French Demande Patent Document. Vol. #2460668,