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Substance Name: Anhalonidine
RN: 17627-77-9
UNII: 23XP4B16AN
InChIKey: PRNZAMQMBOFSJY-ZETCQYMHSA-N

Molecular Formula

  • C12-H17-N-O3

Molecular Weight

  • 223.27
 
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Names and Synonyms

Name of Substance

  • Anhalonidine

Synonym

  • UNII-23XP4B16AN

Systematic Name

  • 8-Isoquinolinol, 1,2,3,4-tetrahydro-6,8-dimethoxy-1-methyl-, (S)-

Registry Numbers

CAS Registry Number

  • 17627-77-9

FDA UNII

  • 23XP4B16AN

System Generated Number

  • 0017627779

Structure Descriptors

InChI

1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(15-2)12(16-3)11(10)14/h6-7,13-14H,4-5H2,1-3H3/t7-/m0/s1

InChIKey

PRNZAMQMBOFSJY-ZETCQYMHSA-N

Smiles

c1(c2c(CCN[C@H]2C)cc(c1OC)OC)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 160.5 deg C   EXP
log P (octanol-water) 1.070 (none)   EST
Atmospheric OH Rate Constant 2.95E-10 cm3/molecule-sec 25 EST

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