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Substance Name: N-Dimethylallylnorcocaine HCl
RN: 69700-35-2
InChIKey: YFYWJBXYUCKMAZ-BALSRIHOSA-N

Molecular Formula

  • C21-H27-N-O4.Cl-H

Molecular Weight

  • 393.908
 
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Names and Synonyms

Results Name

  • N-Dimethylallylnorcocaine HCl

Synonym

  • N-Dimethylallylnorcocaine hydrochloride

Systematic Name

  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-(3-methyl-2-butenyl)-, methyl ester, hydrochloride, (1R-(1alpha,2alpha,3alpha,5alpha))-

Registry Numbers

CAS Registry Number

  • 69700-35-2

System Generated Number

  • 0069700352

Molecular Formulas

Molecular Formula

  • C21-H27-N-O4.Cl-H

Molecular Formula Fragments

  • C21-H27-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO4.ClH/c1-14(2)11-12-22-16-9-10-17(22)19(21(24)25-3)18(13-16)26-20(23)15-7-5-4-6-8-15;/h4-8,11,16-19H,9-10,12-13H2,1-3H3;1H/t16-,17-,18+,19-;/m1./s1

InChIKey

YFYWJBXYUCKMAZ-BALSRIHOSA-N

Smiles

C1[C@@H]([C@@H]([C@@H]2CC[C@@H]1[N@@]2C\C=C(\C)C)C(=O)OC)OC(c1ccccc1)=O.Cl