Docetaxel

Datasheet MSDS
Catalog Number
ANC01399
Product Name
Docetaxel
Structure
Docetaxel
CAS Number
114977-28-5
IUPAC Name
[(1S,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
Synonyms
docetaxel; docetaxelanhydrous; docetaxelhydrate; docetaxeltrihydrate; docetaxol; N-debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol; NSC628503; RP56976; RP-56976; Taxolteremetro; 114977-28-5
Molecular Formula
C43H53NO14
Molecular Weight
807.88
Appearance
White Solid
Purity
≥98%
Solubility
Soluble to 100 mM in DMSO and to 100 mM in ethanol
Melting Point
186-192°C
Storage
Store in a cool and dry place and at 0-4°C for short term (days to weeks) or -55°C for long term (months to years).
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
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
InChI Key
ZDZOTLJHXYCWBA-VCVYQWHSSA-N
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