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Substance Name: Benzhydrol, alpha-(2-(diethylamino)-1-((isopentyloxy)methyl)ethyl)-, fumarate (1:1)
RN: 27764-07-4
InChIKey: NTDWGKKQBOIQIC-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H37-N-O2.C4-H4-O4

Molecular Weight

  • 499.644
 
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Names and Synonyms

Synonym

  • alpha-(2-(Diethylamino)-1-((isopentyloxy)methyl)ethyl)benzhydrol fumarate (1:1)

Systematic Name

  • Benzhydrol, alpha-(2-(diethylamino)-1-((isopentyloxy)methyl)ethyl)-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 27764-07-4

System Generated Number

  • 0027764074

Molecular Formulas

Molecular Formula

  • C25-H37-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C25-H37-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H37NO2.C4H4O4/c1-5-26(6-2)19-24(20-28-18-17-21(3)4)25(27,22-13-9-7-10-14-22)23-15-11-8-12-16-23;5-3(6)1-2-4(7)8/h7-16,21,24,27H,5-6,17-20H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

NTDWGKKQBOIQIC-WLHGVMLRSA-N

Smiles

C([C@@H](CN(CC)CC)COCCC(C)C)(O)(c1ccccc1)c1ccccc1.C(\C=C\C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 600mg/kg (600mg/kg)   United States Patent Document. Vol. #3676496,