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Substance Name: Vanilol
RN: 78100-57-9
InChIKey: MKDCAESMSRQHIN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N-O5

Molecular Weight

  • 297.349
 
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Names and Synonyms

Name of Substance

  • Vanilol

Synonyms

  • 1-(2-Methoxy-4-methoxycarbonyl-1-phenoxy)-3-isopropylamino-2-propanol
  • 4-(3-(Isopropylamino)-2-hydroxypropoxy)-3-methoxy-benzoic acid methyl ester
  • Vanilol

Systematic Name

  • Benzoic acid, 4-(3-(isopropylamino)-2-hydroxypropoxy)-3-methoxy-, methyl ester

Registry Numbers

CAS Registry Number

  • 78100-57-9

System Generated Number

  • 0078100579

Structure Descriptors

InChI

1S/C15H23NO5/c1-10(2)16-8-12(17)9-21-13-6-5-11(15(18)20-4)7-14(13)19-3/h5-7,10,12,16-17H,8-9H2,1-4H3

InChIKey

MKDCAESMSRQHIN-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OC)=O)cc1)OC)OC[C@@H](CNC(C)C)O

Toxicity