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Vincristine N-Oxide

CAT: 1459-CS-T-62727Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-62727Size:1 Each
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Description
Vincristine N-Oxide is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Vincristine. The product is supplied by Clearsynth under CAT No. CS-T-62727. 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
947527-73-3
Synonyms
Vincristine N-Oxide
Molecular Formula
C 46 H 56 N 4 O 11
Molecular Weight
840.97
Additionnal Information
Vincristine N-Oxide is supplied with detailed characterization data compliant with regulatory guideline. Vincristine N-Oxide 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 Vincristine.
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

Vincristine N-Oxide
CAS Number947527-73-3
PubChem CID71752950
IUPAC Namemethyl (1R,9R,10S,11S,12R,19R)-11-acetyloxy-12-ethyl-4-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Molecular FormulaC46H56N4O11
Molecular Weight841.0
XLogP2.3
Topological Polar Surface Area186
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count61
Formal Charge0
Complexity1800
SMILES
CC[C@@]1(C[C@@H]2C[C@@](C3=C(CC[N@+](C2)(C1)[O-])C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
InChI
InChI=1S/C46H56N4O11/c1-7-42(55)22-28-23-45(40(53)59-5,36-30(14-19-50(57,24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)58-4)49(26-51)38-44(31)16-18-48-17-11-15-43(8-2,37(44)48)39(61-27(3)52)46(38,56)41(54)60-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39+,42+,43-,44-,45+,46+,50+/m1/s1
InChIKey
RMXAXRWGUNEVQR-PQWPLOBDSA-N
Chemical Structure
2D Structure
2D structure of Vincristine N-Oxide
CAS: 947527-73-3
CID: 71752950
Formula: C46H56N4O11
MW: 841.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight841.0
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass840.39455862
Monoisotopic Mass840.39455862
Topological Polar Surface Area186 Ų
Heavy Atom Count61
Formal Charge0
Complexity1800
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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291925-01Vincristine N-oxide
RM-V090308-01N-Desformyl-4-desacetyl Vincristine
276474-01N-Formyl leurosine (vincristine impurity G)
008413N-Desformyl-4-desacetyl Vincristine Disulfate Salt
TRC-D289930-10MGN-Desformyl-4-desacetyl Vincristine Disulfate Salt (>80%)
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