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Substance Name: 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride
RN: 5505-03-3
InChIKey: NCFDBRPIBQCHAV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H38-N2-O.2Cl-H

Molecular Weight

  • 455.51
 
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Names and Synonyms

Synonym

  • 1,7-Bis(dimethylamino)-4-(2-(2-phenylethyl)phenyl)heptan-4-ol dihydrochloride

Systematic Name

  • 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 5505-03-3

System Generated Number

  • 0005505033

Molecular Formulas

Molecular Formula

  • C25-H38-N2-O.2Cl-H

Molecular Formula Fragments

  • C25-H38-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H38N2O.2ClH/c1-26(2)20-10-18-25(28,19-11-21-27(3)4)24-15-9-8-14-23(24)17-16-22-12-6-5-7-13-22;;/h5-9,12-15,28H,10-11,16-21H2,1-4H3;2*1H

InChIKey

NCFDBRPIBQCHAV-UHFFFAOYSA-N

Smiles

c1(c(CCc2ccccc2)cccc1)C(CCC[NH+](C)C)(CCC[NH+](C)C)O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 65mg/kg (65mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 33, Pg. 1880, 1968.