Chemical Compound

Docetaxel trihydrate

CAS Registry Number 148408-66-6
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Docetaxel trihydrate chemical structure
Primary Record

Docetaxel trihydrate

In stock
3,521 g
Purity
99.1 %
CAS
148408-66-6

Compound Identifiers & Properties

CAS
148408-66-6
PubChem CID
24721032
SMILES
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.O.O.O
Canonical SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C.O.O.O

Names & Synonyms

  • Docetaxel trihydrate
  • docetaxel
  • Docefrez
  • Taxotere
  • Docetaxel Teva
  • Docetaxel Accord
  • Docetaxel (Trihydrate)
  • C43H53NO14.3H2O
  • Docetaxel [USAN:INN:BAN]
  • UNII-15H5577CQD
  • XRP6976
  • Docetaxel [USAN:USP:INN:BAN]
  • XCDIRYDKECHIPE-IYNZIZMXSA-N
  • W77D285
  • C43-H53-N-O14.3H2-O
  • RP 56976
  • ST24046663
  • X5009
  • F12955
  • W-5301
  • 148408-66-6
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  • [(1R,2S,3R,4S,7R,9S,10S,12R,15S)-4-Acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;trihydrate
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  • 114977-28-5