Description:
Docetaxel, also called Taxoltere metro, a semisynthetic side-chain analogue of taxol differing at two positions in its chemical structure, is an inhibitior of microtubule disassembly (IC50 = 0.2 μM). And it inhibits cell replication (IC50 = 0.13 μM).
- Molecular Weight: 807.88
- Molecular Formula: C43H53NO14
Purity: 98%~102%
Canonical SMILES:
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(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:
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
InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N
- Melting Point: 186-192°C
- Solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol
- Appearance: White solid
- Application: antitumor
- 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).
Synonyms:
docetaxel; docetaxel anhydrous; docetaxel hydrate; docetaxel trihydrate; docetaxol; N-debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol; NSC 628503; RP 56976; RP-56976; Taxoltere metro; 114977-28-5
More details are to be found on supplier website
