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(10S)-10,11-Dihydro-8-chloro-10-[(3S)-3-(methylethylamino)pyrrolizino]dibenzo[b,f]thiepin is a chemical compound that is a derivative of dibenzo[b,f]thiepin. It contains a chlorine atom at the 8th position and a pyrrolizino-amino group. The stereochemistry of the compound is such that the substituent at the 10th position is in the S configuration. (10S)-10,11-Dihydro-8-chloro-10-[(3S)-3-(methylethylamino)pyrrolizino]dibenzo[b,f]thiepin is likely to have significant pharmacological activity, potentially as a psychoactive or psychotropic agent, due to its structural similarity to known psychoactive compounds such as tricyclic antidepressants.

57602-85-4

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57602-85-4 Usage

Uses

Used in Pharmaceutical Industry:
(10S)-10,11-Dihydro-8-chloro-10-[(3S)-3-(methylethylamino)pyrrolizino]dibenzo[b,f]thiepin is used as a potential psychoactive or psychotropic agent for the treatment of various mental health disorders. Its structural similarity to tricyclic antidepressants suggests that it may have therapeutic effects on mood, anxiety, and other psychological conditions.
Further research and testing are necessary to fully understand the properties and potential uses of this chemical.

Check Digit Verification of cas no

The CAS Registry Mumber 57602-85-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,7,6,0 and 2 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 57602-85:
(7*5)+(6*7)+(5*6)+(4*0)+(3*2)+(2*8)+(1*5)=134
134 % 10 = 4
So 57602-85-4 is a valid CAS Registry Number.
InChI:InChI=1/C21H25ClN2S/c1-3-23(2)17-10-11-24(14-17)19-12-15-6-4-5-7-20(15)25-21-9-8-16(22)13-18(19)21/h4-9,13,17,19H,3,10-12,14H2,1-2H3/t17-,19-/m0/s1

57602-85-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name [(S)-1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-pyrrolidin-3-yl]-ethyl-methyl-amine

1.2 Other means of identification

Product number -
Other names (3S)-1-[(6S)-8-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-N-ethyl-N-methylpyrrolidin-3-amine

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:57602-85-4 SDS

57602-85-4Upstream product

57602-85-4Downstream Products

57602-85-4Relevant academic research and scientific papers

8 Chloro (S) and (R) 10 [(S) and (R) 3' methylethylaminopyrrolidino] 10,11 dihydrodibenzo [b,f] thiepins. Synthesis and pharmacological studies

Witiak,Vishnuvajjala,Gupta,Gerald

, p. 40 - 47,41, 45 (2007/10/08)

The synthesis of 8 chloro (S) and (R) 10 [(S) and (B) 3' methylethylaminopyrrolidino] 10,11 dihydrodibenzo[b,f]thiepins is presented. The absolute configuration at position 3' of the aminopyrrolidino side chain is known from synthesis and corresponds to the asymmetric carbon atom in (S) or (R) aspartic acid. The absolute configuration at C-10 of the dihydrodibenzo[b,f]thiepin ring system was deduced from ORD-CD analysis coupled with degradation of partially resolved (+) 8 chloro 10 amino 10,11 dihydrodibenzo[b,f]thiepin to (+) (S) 1,2 diphenylethylamine. The 4 isomers were studied in mice for their ability to block conditioned avoidance responding, antagonize oxotremorine, and act as analgetics and anticonvulsants. These compounds were found to be nonselective antagonists of histamine, acetylcholine, and BaCl2 in vitro. The compounds exerted effects similar to those of chlorpromazine. Stereoselective differences in activity between diastereoisomers, rather than between enantiomorphs, were generally observed.

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