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The chemical "2-[(7-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethylethanaminium (2Z)-3-carboxyprop-2-enoate" is a complex organic compound with a molecular formula of C21H22ClNO2S. It is a derivative of dibenzo[b,f]thiepin, a tricyclic compound with a sulfur atom in the ring structure. The molecule features a 7-chloro substitution on the dibenzo[b,f]thiepin core, which is connected to an oxy group that further links to a dimethylaminoethyl moiety. The compound also includes a (2Z)-3-carboxyprop-2-enoate group, indicating the presence of a trans double bond between the second and third carbon atoms of the propenoate chain, with a carboxylic acid group at the third carbon. This chemical structure suggests potential applications in pharmaceuticals or as a precursor in the synthesis of other complex molecules, given its unique arrangement of functional groups and heteroatoms.

5118-50-3

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5118-50-3 Usage

Chemical compound

2-[(7-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethylethanaminium (2Z)-3-carboxyprop-2-enoate

Structure

Contains a dibenzo[b,f]thiepin core

Type

Quaternary ammonium compound

Functional group

Carboxyprop-2-enoate group

Properties

Studied for potential pharmaceutical properties

Potential

Antipsychotic agent

Mechanism

Modulates neurotransmitter levels in the brain

Research focus

Investigated for therapeutic potential in mental health disorders

Check Digit Verification of cas no

The CAS Registry Mumber 5118-50-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,1,1 and 8 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 5118-50:
(6*5)+(5*1)+(4*1)+(3*8)+(2*5)+(1*0)=73
73 % 10 = 3
So 5118-50-3 is a valid CAS Registry Number.

5118-50-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[(2-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethylazanium,(Z)-4-hydroxy-4-oxobut-2-enoate

1.2 Other means of identification

Product number -
Other names Ethylamine,2-((7-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethyl-,maleate (1:1)

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5118-50-3 SDS

5118-50-3Upstream product

5118-50-3Downstream Products

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