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Substance Name: Codamine
RN: 21040-59-5
UNII: 392KD8X3P8
InChIKey: OKORHWXYDBSYNO-INIZCTEOSA-N

Molecular Formula

  • C20-H25-N-O4

Molecular Weight

  • 343.4205
 
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Names and Synonyms

Name of Substance

  • Codamine

Synonyms

  • EINECS 244-165-9
  • UNII-392KD8X3P8

Systematic Name

  • (S)-1-((3,4-Dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-methoxy-2-methylisoquinolin-7-ol

Registry Numbers

CAS Registry Number

  • 21040-59-5

FDA UNII

  • 392KD8X3P8

System Generated Number

  • 0021040595

Structure Descriptors

InChI

1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m0/s1

InChIKey

OKORHWXYDBSYNO-INIZCTEOSA-N

Smiles

COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 127 deg C   EXP
log P (octanol-water) 3.070 (none)   EST
Atmospheric OH Rate Constant 2.35E-10 cm3/molecule-sec 25 EST

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