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Substance Name: Safrole III
RN: 30418-52-1
UNII: V2XPB4FQOR
InChIKey: YBUWNTDJQFATRD-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C14-H17-N-O3

Molecular Weight

  • 247.292
 
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Names and Synonyms

Results Name

  • Safrole III

Name of Substance

  • Safrole III

Synonyms

  • 3-Pyrrolidino-1-(3,4-methylenedioxyphenyl)-1-propanone
  • 5-20-01-00500 (Beilstein Handbook Reference)
  • BRN 1319651
  • Safrole III
  • UNII-V2XPB4FQOR

Systematic Names

  • 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(1-pyrrolidinyl)-
  • Propiophenone, 3',4'-(methylenedioxy)-3-(1-pyrrolidinyl)- (8CI)

Registry Numbers

CAS Registry Number

  • 30418-52-1

FDA UNII

  • V2XPB4FQOR

System Generated Number

  • 0030418521

Structure Descriptors

InChI

1S/C14H17NO3/c16-12(5-8-15-6-1-2-7-15)11-3-4-13-14(9-11)18-10-17-13/h3-4,9H,1-2,5-8,10H2

InChIKey

YBUWNTDJQFATRD-UHFFFAOYSA-N

Smiles

C(CCN1CCCC1)(=O)c1cc2OCOc2cc1