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Home> CAS DataBase Listed 1 > CAS 114977-28-5
114977-28-5 structure 3D

CAS No. 114977-28-5

  • Molecular Weight: 807.89
  • Formula: C16H13CL2NO4
  • Name: STOCK5S-02126
  • Synonyms: TAXOTERE; RP 56976; Docetaxol; HSDB 6965; Decetaxel; Docetaxolum; Docetaxel Winthrop; Taxotere anhydrous; n-debenzoyl-n-tert-butoxycarbonyl-10-deacetyl taxol; Docetaxel N-debenzoyl-N-tert-butoxycarbonyl-10-deacetyl taxol; )benz(1,2-b)oxet-9-ylester,(2ar-(2a-alpha,4-beta,4a-beta,6-beta,9-alpha(alph; -,12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydr
Properties Safety and Handling MSDS NMR Spectrum Computational chemical data
Identification of 114977-28-5
  • Name:
  • STOCK5S-02126 (Related Reference)
  • EINECS:
  • 205-788-1; 603-752-3; 616-937-9
  • InChI:
  • InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
  • This structure is also available as a 2d Mol file
Safety Data
  • [Risk Codes]
  • R36/37/38:Irritating to eyes, respiratory system and skin
  • [Safety Statements]
  • Hazard Symbols:
  • HazardClass:6.1(b)
  • MSDS infomation:
  • STOCK5S-02126 (114977-28-5).msds
Properties
  • Appearance:
  • Off-white Cryst.
  • Molecular Weight:
  • 807.89
  • Melting Point:
  • 232℃
  • Alpha:
  • -36 o (C=0.74,ETOH)
  • Storage Temperature:
  • Keep tightly closed. Store at +4°C.
  • Refractive index:
  • 1.618
  • Solubility:
  • 60 g/L
  • Stability:
  • Stable at normal temperatures and pressures.
  • Usage:
  • Corresponds to the cancer drug taxotere. Influence on microtubule assembly.
  • More Properties>>
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