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Nintedanib Metabolite M2

CAT: 1459-CS-O-16504Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-16504Size:1 Each
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Description
Nintedanib Metabolite M2 is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Nintedanib. The product is supplied by Clearsynth under CAT No. CS-O-16504. 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
1352789-50-4
Synonyms
Nintedanib Metabolite M2
Molecular Formula
C 36 H 39 N 5 O 10
Molecular Weight
701.72
Additionnal Information
Nintedanib Metabolite M2 is supplied with detailed characterization data compliant with regulatory guideline. Nintedanib Metabolite M2 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 Nintedanib.
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 accurate information.

Chemical Information

Nintedanib Demethyl-O-glucuronic Acid
CAS Number1352789-50-4
PubChem CID139025809
IUPAC Name(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carbonyl]oxyoxane-2-carboxylic acid
Molecular FormulaC36H39N5O10
Molecular Weight701.7
XLogP0.1
Topological Polar Surface Area209
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count51
Formal Charge0
Complexity1250
SMILES
CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)O[C@H]6[C@H]([C@@H]([C@H]([C@@H](O6)C(=O)O)O)O)O)O
InChI
InChI=1S/C36H39N5O10/c1-39-14-16-41(17-15-39)19-26(42)40(2)23-11-9-22(10-12-23)37-28(20-6-4-3-5-7-20)27-24-13-8-21(18-25(24)38-33(27)46)35(49)51-36-31(45)29(43)30(44)32(50-36)34(47)48/h3-13,18,29-32,36,38,43-46H,14-17,19H2,1-2H3,(H,47,48)/t29-,30-,31+,32-,36+/m1/s1
InChIKey
UVCRIJFWWJYQMK-RWRPUETGSA-N
Chemical Structure
2D Structure
2D structure of Nintedanib Demethyl-O-glucuronic Acid
CAS: 1352789-50-4
CID: 139025809
Formula: C36H39N5O10
MW: 701.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight701.7
XLogP30.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass701.26969246
Monoisotopic Mass701.26969246
Topological Polar Surface Area209 Ų
Heavy Atom Count51
Formal Charge0
Complexity1250
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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