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Substance Name: Acetamide, 2,2,2-trifluoro-N-(5,6,7,9-tetrahydro-10-hydroxy-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-
RN: 71295-34-6
InChIKey: GZXFPMJSKAABTM-ZDUSSCGKSA-N

Molecular Formula

  • C21-H20-F3-N-O6

Molecular Weight

  • 439.384
 
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Names and Synonyms

Synonym

  • N-Trifluoroacetyl-N-deacetylcolchiceine

Systematic Name

  • Acetamide, 2,2,2-trifluoro-N-(5,6,7,9-tetrahydro-10-hydroxy-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-

Registry Numbers

CAS Registry Number

  • 71295-34-6

System Generated Number

  • 0071295346

Structure Descriptors

InChI

1S/C21H20F3NO6/c1-29-16-8-10-4-6-13(25-20(28)21(22,23)24)12-9-15(27)14(26)7-5-11(12)17(10)19(31-3)18(16)30-2/h5,7-9,13H,4,6H2,1-3H3,(H,25,28)(H,26,27)/t13-/m0/s1

InChIKey

GZXFPMJSKAABTM-ZDUSSCGKSA-N

Smiles

COc1cc2CC[C@H](NC(=O)C(F)(F)F)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.82 (none)   EXP
Water Solubility 48.5 mg/L 25 EST
Vapor Pressure 1.79E-15 mm Hg 25 EST
Henry's Law Constant 2.66E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.18E-10 cm3/molecule-sec 25 EST

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