Docetaxel Trihydrate
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- structure.search.product.name Docetaxel Trihydrate
- Product Code: MM3396.00
- CAS Number: 148408-66-6
- Brand: Mikromol
Product Overview
Product Code
MM3396.00
CAS Number
Product Format
Neat
Molecular Formula
C43 H53 N O14 . 3 H2 O
Molecular Weight
861.93
API Family
Docetaxel TrihydrateProduct Categories
Mikromol, Anticancerous, API Reference Standards & Research Materials
Product Type
APIDrug Type
Taxanes
Documentation
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Product Information
Analyte Data
Analyte Name
Docetaxel trihydrate
CAS Number
148408-66-6
Molecular Formula
C43 H53 N O14 . 3 H2 O
Molecular Weight
861.93
Accurate Mass
861.3783
SMILES
O.O.O.CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
InChI
InChI=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
IUPAC
5ß,20-Epoxy-1,7ß,10ß-trihydroxy-9-oxotax-11-ene-2a,4,13a-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate] trihydrate
Product Data
Storage Temperature
+5°C
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Tariff Code
29329900
Product Type
API
Product Format
Neat
API Family