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Docetaxel trihydrate structure, CAS 148408-66-6

Docetaxel trihydrate

CAS Number148408-66-6

SynonymsXrp6976; docetaxel trihydrate; DOCETAXEL HYDRATE; Docetaxel (Trihydrate)

Molecular FormulaC43H59NO17

Molecular Weight861.925

Purity98%

Density1.37 g/cm3

Boiling Point1016.9ºC at 760 mmHg

Melting Point186-192ºC

Flash Point

AppearanceWhite crystalline powder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-1169500 Purity: 98%
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Quality Control of [ 148408-66-6 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number148408-66-6
Catalog No.2A-1169500
Chinese Name三水多烯紫杉醇
SynonymsXrp6976; docetaxel trihydrate; DOCETAXEL HYDRATE; Docetaxel (Trihydrate)
Molecular FormulaC43H59NO17
Molecular Weight861.925
Purity98
Density1.37 g/cm3
Boiling Point1016.9ºC at 760 mmHg
Melting Point186-192ºC
AppearanceWhite crystalline powder
Storage Condition2-8°C
ApplicationDocetaxel (Taxotere) trihydrate is a paclitaxel analogue that inhibits microtubule depolymerization.
PubChem ID7849226
SMILESCC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C.O.O.O
InChIInChI=1S/C43H53NO14.3H2O/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);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;;;/m0.../s1
InChI KeyXCDIRYDKECHIPE-AATZSFIASA-N
Transport InfoProduct name: Docetaxel trihydrate
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