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Substance Name: Chanoclavine
RN: 2390-99-0
UNII: 32X6F73RE2
InChIKey: SAHHMCVYMGARBT-HEESEWQSSA-N

Molecular Formula

  • C16-H20-N2-O

Molecular Weight

  • 256.347
 
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Names and Synonyms

Name of Substance

  • Chanoclavine

Synonyms

  • Chanoclavin-I
  • Isochanoclavin
  • UNII-32X6F73RE2

Systematic Name

  • 2-Propen-1-ol, 2-methyl-3-(1,3,4,5-tetrahydro-4-(methylamino)benz(cd)indol-5-yl)-, (4R-(4alpha,5beta(E)))-

Registry Numbers

CAS Registry Number

  • 2390-99-0

FDA UNII

  • 32X6F73RE2

System Generated Number

  • 0002390990

Structure Descriptors

InChI

1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15-/m1/s1

InChIKey

SAHHMCVYMGARBT-HEESEWQSSA-N

Smiles

c1cc2c3c(C[C@H]([C@@H]2\C=C(\CO)C)NC)c[nH]c3c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 221 deg C   EXP
log P (octanol-water) 2.140 (none)   EST
Atmospheric OH Rate Constant 3.86E-10 cm3/molecule-sec 25 EST

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