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10-Methyl Docetaxel-d3

CAT: 1459-CS-T-82088Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-82088Size:1 Each
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Description
10-Methyl Docetaxel-d3 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Docetaxel. The product is supplied by Clearsynth under CAT No. CS-T-82088. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1383561-32-7
Synonyms
10-Methyl Docetaxel-d3
Molecular Formula
C 44 H 52 D 3 NO 14
Molecular Weight
824.94
Additionnal Information
10-Methyl Docetaxel-d3 is supplied with detailed characterization data compliant with regulatory guideline. 10-Methyl Docetaxel-d3 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Docetaxel.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

10-Methyl Docetaxel-D3
CAS Number1383561-32-7
PubChem CID57524312
IUPAC Name[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-12-(trideuteriomethoxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular FormulaC44H55NO14
Molecular Weight824.9
XLogP2.2
Topological Polar Surface Area213
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Heavy Atom Count59
Formal Charge0
Complexity1670
SMILES
[2H]C([2H])([2H])O[C@@H]1C2=C([C@H](C[C@](C2(C)C)([C@H]([C@H]3[C@](C1=O)([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)C)OC(=O)C5=CC=CC=C5)O)OC(=O)[C@@H]([C@H](C6=CC=CC=C6)NC(=O)OC(C)(C)C)O)C
InChI
InChI=1S/C44H55NO14/c1-23-27(56-38(51)32(48)31(25-16-12-10-13-17-25)45-39(52)59-40(3,4)5)21-44(53)36(57-37(50)26-18-14-11-15-19-26)34-42(8,35(49)33(54-9)30(23)41(44,6)7)28(47)20-29-43(34,22-55-29)58-24(2)46/h10-19,27-29,31-34,36,47-48,53H,20-22H2,1-9H3,(H,45,52)/t27-,28-,29+,31-,32+,33+,34-,36-,42+,43-,44+/m0/s1/i9D3
InChIKey
KWXAADKMZIJIMH-HXAYTVANSA-N
Chemical Structure
2D Structure
2D structure of 10-Methyl Docetaxel-D3
CAS: 1383561-32-7
CID: 57524312
Formula: C44H55NO14
MW: 824.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight824.9
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Exact Mass824.38108567
Monoisotopic Mass824.38108567
Topological Polar Surface Area213 Ų
Heavy Atom Count59
Formal Charge0
Complexity1670
Isotope Atom Count3
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
41165210-Methyl Docetaxel-D3
TRC-M320020-10MG10-Methyl Docetaxel
TRC-M320032-50MG7-Methyl Docetaxel-D3
439770-017-Methyl Docetaxel-D3 discontinued
439775-017-Methyl-10- (2-hydroxy-3-N-Boc-3-phenylpropionyl) Docetaxel-D3
TRC-M264442-50MG7-Methyl-10-(2-hydroxy-3-N-Boc-3-phenylpropionyl) Docetaxel-D3
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