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DesChloro Tolvaptan

CAT: 1459-CS-EO-00192Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-EO-00192Size:1 Each
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Description
DesChloro Tolvaptan is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Tolvaptan. The product is supplied by Clearsynth under CAT No. CS-EO-00192. 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
1432725-23-9
Synonyms
DesChloro Tolvaptan
Molecular Formula
C 26 H 26 N 2 O 3
Molecular Weight
414.5
Additionnal Information
DesChloro Tolvaptan is supplied with detailed characterization data compliant with regulatory guideline. DesChloro Tolvaptan 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 Tolvaptan.
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

N-(4-(5-Hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide
CAS Number1432725-23-9
PubChem CID71767690
IUPAC NameN-[4-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
Molecular FormulaC26H26N2O3
Molecular Weight414.5
XLogP4.1
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity638
SMILES
CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)O)C
InChI
InChI=1S/C26H26N2O3/c1-17-8-3-4-9-20(17)25(30)27-19-13-14-21(18(2)16-19)26(31)28-15-7-12-24(29)22-10-5-6-11-23(22)28/h3-6,8-11,13-14,16,24,29H,7,12,15H2,1-2H3,(H,27,30)
InChIKey
TWKDOSHOLYKYDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(5-Hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide
CAS: 1432725-23-9
CID: 71767690
Formula: C26H26N2O3
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass414.19434270
Monoisotopic Mass414.19434270
Topological Polar Surface Area69.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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