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Substance Name: 3-Azaspiro(5.5)undecane, 9-tert-butyl-3-(3-(dimethylamino)propyl)-, dihydrochloride
RN: 95946-00-2
InChIKey: VYVHBWNKDOBBEH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H38-N2.2Cl-H

Molecular Weight

  • 367.445
 
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Names and Synonyms

Synonym

  • N-Dimethylaminopropyl-9-t-butyl-3-azaspiro(5.5)undecane dihydrochloride

Systematic Name

  • 3-Azaspiro(5.5)undecane, 9-tert-butyl-3-(3-(dimethylamino)propyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 95946-00-2

System Generated Number

  • 0095946002

Molecular Formulas

Molecular Formula

  • C19-H38-N2.2Cl-H

Molecular Formula Fragments

  • C19-H38-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H38N2.2ClH/c1-18(2,3)17-7-9-19(10-8-17)11-15-21(16-12-19)14-6-13-20(4)5;;/h17H,6-16H2,1-5H3;2*1H

InChIKey

VYVHBWNKDOBBEH-UHFFFAOYSA-N

Smiles

C12(CCC(C(C)(C)C)CC1)CC[NH+](CCC[NH+](C)C)CC2.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 388, 1963.