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Substance Name: Peyonine
RN: 19717-25-0
UNII: KWD7M7UMPY
InChIKey: DDYNENGLSGKEPO-UHFFFAOYSA-N

Molecular Formula

  • C16-H19-N-O5

Molecular Weight

  • 305.3281
 
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Names and Synonyms

Name of Substance

  • Peyonine

Synonyms

  • 1-(beta-(3',4',5'-Trimethoxy)phenethyl)pyrrole-2-carboxylic acid
  • 1H-Pyrrole-2-carboxylic acid, 1-(2-(3,4,5-trimethoxyphenyl)ethyl)-
  • Peyonine
  • Peyonine [MI]
  • UNII-KWD7M7UMPY

Registry Numbers

CAS Registry Number

  • 19717-25-0

FDA UNII

  • KWD7M7UMPY

System Generated Number

  • 0019717250

Structure Descriptors

InChI

1S/C16H19NO5/c1-20-13-9-11(10-14(21-2)15(13)22-3)6-8-17-7-4-5-12(17)16(18)19/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,19)

InChIKey

DDYNENGLSGKEPO-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)CCn2cccc2C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 132 deg C   EXP
log P (octanol-water) 3.020 (none)   EST
Atmospheric OH Rate Constant 2.05E-10 cm3/molecule-sec 25 EST

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