Tolvaptan N-Alkyl dimer

CAT: 1459-CS-O-48980Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1459-CS-O-48980Size:1 Each

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Description

Tolvaptan N-Alkyl dimer 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-O-48980. 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

2657689-28-4

Synonyms

Tolvaptan N-Alkyl dimer

Molecular Formula

C 42 H 38 ClN 3 O 5

Molecular Weight

700.23

Additionnal Information

Tolvaptan N-Alkyl dimer is supplied with detailed characterization data compliant with regulatory guideline. Tolvaptan N-Alkyl dimer 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-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methyl-N-(2-methylbenzoyl)-4-[(2-methylbenzoyl)amino]benzamide

CAS Number	2657689-28-4
PubChem CID	58003433
IUPAC Name	N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methyl-N-(2-methylbenzoyl)-4-[(2-methylbenzoyl)amino]benzamide
Molecular Formula	C42H38ClN3O5
Molecular Weight	700.2
XLogP	8
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	51
Formal Charge	0
Complexity	1250

SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N(C3=CC(=C(C=C3)C(=O)N4CCCC(C5=C4C=CC(=C5)Cl)O)C)C(=O)C6=CC=CC=C6C)C

InChI

InChI=1S/C42H38ClN3O5/c1-25-10-5-7-12-32(25)39(48)44-30-16-18-35(27(3)22-30)42(51)46(41(50)33-13-8-6-11-26(33)2)31-17-19-34(28(4)23-31)40(49)45-21-9-14-38(47)36-24-29(43)15-20-37(36)45/h5-8,10-13,15-20,22-24,38,47H,9,14,21H2,1-4H3,(H,44,48)

InChIKey

NNMHQMLMVUUTAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2657689-28-4

CID: 58003433

Formula: C42H38ClN3O5

MW: 700.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	700.2
XLogP3	8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	699.2499990
Monoisotopic Mass	699.2499990
Topological Polar Surface Area	107 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	1250
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
CS-O-48981	Tolvaptan N-2-methylbenzamido impurity
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CS-EO-00192	DesChloro Tolvaptan
CS-T-44606	(S) - (-) -Tolvaptan
CS-O-02900	Tolvaptan-d7
CS-O-57094	N-Nitroso Esmolol Dimer
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Tolvaptan N-Alkyl dimer

Chemical Information

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