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Substance Name: Scopoline
RN: 487-27-4
UNII: UGW80D8GKZ
InChIKey: MEGPURSNXMUDAE-RLMOJYMMSA-N

Molecular Formula

  • C8-H13-N-O2

Molecular Weight

  • 155.1957
 
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Names and Synonyms

Name of Substance

  • Scopoline

Synonyms

  • EINECS 207-655-3
  • NSC 93128
  • Oscin
  • Oscine
  • Scopolin
  • UNII-UGW80D8GKZ

Systematic Names

  • 1betaH,5betaH-Tropan-6alpha-ol, 3beta,7beta-epoxy- (8CI)
  • 2,5-Methano-2H-furo(3,2-b)pyrrol-6-ol, hexahydro-4-methyl-, (2alpha,3abeta,5alpha,6beta,6abeta)- (9CI)
  • Scopoline

Registry Numbers

CAS Registry Number

  • 487-27-4

FDA UNII

  • UGW80D8GKZ

Other Registry Numbers

  • 116947-20-7
  • 20764-40-3

System Generated Number

  • 0000487274

Structure Descriptors

InChI

1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3/t4-,5-,6+,7-,8-/m0/s1

InChIKey

MEGPURSNXMUDAE-RLMOJYMMSA-N

Smiles

CN1[C@H]2C[C@H]3C[C@@H]1[C@H](O3)[C@H]2O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 108.5 deg C   EXP
Boiling Point 248 deg C   EXP
log P (octanol-water) -1.620 (none)   EST
Atmospheric OH Rate Constant 6.37E-11 cm3/molecule-sec 25 EST

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