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Substance Name: 3-Heptene-1,7-diamine, 4-(o-phenethylphenyl)-N,N,N',N'-tetramethyl-, hydrochloride, hydrate (2:4:1)
RN: 19947-07-0
InChIKey: MWDBNDBFCWFUMG-NKSXWYDPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H36-N2.2Cl-H.1/2H2-O

Molecular Weight

  • 437.495
 
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Names and Synonyms

Synonyms

  • 1,7-Bis(dimethylamino)-4-(2-(2-phenylethyl)phenyl)-3-heptene dihydrochloride hemihydrate
  • 4-(o-Phenethylphenyl)-N,N,N',N'-tetramethyl-3-heptene-1,7-diamine 2HCl hemihydrate

Systematic Name

  • 3-Heptene-1,7-diamine, 4-(o-phenethylphenyl)-N,N,N',N'-tetramethyl-, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 19947-07-0

System Generated Number

  • 0019947070

Molecular Formulas

Molecular Formula

  • C25-H36-N2.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C25-H36-N2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H36N2.2ClH/c1-26(2)20-10-15-23(16-11-21-27(3)4)25-17-9-8-14-24(25)19-18-22-12-6-5-7-13-22;;/h5-9,12-15,17H,10-11,16,18-21H2,1-4H3;2*1H/b23-15-;;

InChIKey

MWDBNDBFCWFUMG-NKSXWYDPSA-N

Smiles

c1(c(CCc2ccccc2)cccc1)\C(CCC[NH+](C)C)=C/CC[NH+](C)C.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 33, Pg. 1880, 1968.