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N-Desmethyl Nintedanib

CAT: 1459-CS-O-45337Size: 1 EachDry Ice: NoHazardous: No
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Description
N-Desmethyl Nintedanib 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-45337. 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
334951-61-0
Synonyms
N-Desmethyl Nintedanib
Molecular Formula
C 30 H 31 N 5 O 4
Molecular Weight
525.60
Additionnal Information
N-Desmethyl Nintedanib is supplied with detailed characterization data compliant with regulatory guideline. N-Desmethyl Nintedanib 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 complete information.

Chemical Information

(Z)-Methyl 3-(((4-(N-methyl-2-(piperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate
CAS Number334951-61-0
PubChem CID135837936
IUPAC Namemethyl 2-hydroxy-3-[N-[4-[methyl-(2-piperazin-1-ylacetyl)amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
Molecular FormulaC30H31N5O4
Molecular Weight525.6
XLogP3.8
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity863
SMILES
CN(C1=CC=C(C=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)OC)O)C(=O)CN5CCNCC5
InChI
InChI=1S/C30H31N5O4/c1-34(26(36)19-35-16-14-31-15-17-35)23-11-9-22(10-12-23)32-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39-2)18-25(24)33-29(27)37/h3-13,18,31,33,37H,14-17,19H2,1-2H3
InChIKey
DHQZZWWAHZVLDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Z)-Methyl 3-(((4-(N-methyl-2-(piperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate
CAS: 334951-61-0
CID: 135837936
Formula: C30H31N5O4
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass525.23760449
Monoisotopic Mass525.23760449
Topological Polar Surface Area110 Ų
Heavy Atom Count39
Formal Charge0
Complexity863
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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