7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one

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For Research Use Only.

Category

Impurities

Cat.No.

NP3372

CAS

160129-45-3

Product Name

7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one

Structure

Product Details

Description

7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one (CAS# 160129-45-3) is an intermediate in the synthesis of Tolvaptan (T536650) (OPC-41061), an orally active nonpeptide arginine vasopressin V2 receptor antagonist.

Synonyms

7-chloro-1,2,3,4-tetrahydro-1-benzazepin-5-one; 7-chloro-1,2,3,4-tetrahydro-1-benzazepin-5-one

IUPAC Name

7-chloro-1,2,3,4-tetrahydro-1-benzazepin-5-one

Molecular Weight

195.65

Molecular Formula

C10H10ClNO

Canonical SMILES

C1CC(=O)C2=C(C=CC(=C2)Cl)NC1

InChI

InChI=1S/C10H10ClNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,12H,1-2,5H2

InChIKey

AHESNFIUAHTYGS-UHFFFAOYSA-N

Boiling Point

356.5 °C at 760 mmHg

Purity

98.0%

Density

1.234 g/cm³

MDL

MFCD06738694

Packaging

100 mg

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