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Substance Name: Laudanine
RN: 85-64-3
UNII: 994445H0VB
InChIKey: MPYHGNAJOKCMAQ-UHFFFAOYSA-N

Molecular Formula

  • C20-H25-N-O4

Molecular Weight

  • 343.4205
 
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Names and Synonyms

Name of Substance

  • Laudanine

Synonyms

  • EINECS 201-620-6
  • UNII-994445H0VB

Systematic Name

  • Laudanine

Registry Numbers

CAS Registry Number

  • 85-64-3

FDA UNII

  • 994445H0VB

System Generated Number

  • 0000085643

Structure Descriptors

InChI

1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3

InChIKey

MPYHGNAJOKCMAQ-UHFFFAOYSA-N

Smiles

CN1CCc2cc(c(cc2C1Cc3ccc(c(c3)O)OC)OC)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 167 deg C   EXP
log P (octanol-water) 3.070 (none)   EST
Atmospheric OH Rate Constant 2.32E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.