2-((7-CHLORO-5-(2-CHLOROPHENYL)-4,5-DIHYDRO-4-METHYL-3H-1,4-BENZODIAZEPIN-2-YL)THIO)-N,N-DIMETHYL ETHANAMINE MALEATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H23Cl2N3S.C4H4O4
Molecular Weight	524.46
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-((7-CHLORO-5-(2-CHLOROPHENYL)-4,5-DIHYDRO-4-METHYL-3H-1,4-BENZODIAZEPIN-2-YL)THIO)-N,N-DIMETHYL ETHANAMINE MALEATE

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CN(C)CCSC1=NC2=C(C=C(Cl)C=C2)C(N(C)C1)C3=C(Cl)C=CC=C3

InChI

InChIKey=MYCSJYZMTQQIFQ-BTJKTKAUSA-N

InChI=1S/C20H23Cl2N3S.C4H4O4/c1-24(2)10-11-26-19-13-25(3)20(15-6-4-5-7-17(15)22)16-12-14(21)8-9-18(16)23-19;5-3(6)1-2-4(7)8/h4-9,12,20H,10-11,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula	C20H23Cl2N3S
Molecular Weight	408.388
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )
StereoComments	Assumed racemic

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:05:32 GMT 2023` Edited by `admin` on `Sat Dec 16 13:05:32 GMT 2023`
Record UNII	D8Z5SF1XRL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-((7-CHLORO-5-(2-CHLOROPHENYL)-4,5-DIHYDRO-4-METHYL-3H-1,4-BENZODIAZEPIN-2-YL)THIO)-N,N-DIMETHYL ETHANAMINE MALEATE

Systematic Name

English

NSC-378893

Code

English

2-((7-CHLORO-5-(2-CHLOROPHENYL)-4,5-DIHYDRO-4-METHYL-3H-1,4-BENZODIAZEPIN-2-YL)THIO)-N,N-DIMETHYL-, (Z)-2-BUTENEDIOATE (1:1), ETHANAMINE

Common Name

English

2-((7-CHLORO-5-(2-CHLOROPHENYL)-4,5-DIHYDRO-4-METHYL-3H-1,4-BENZODIAZEPIN-2-YL)THIO)-N,N-DIMETHYL-, (2Z)-2-BUTENEDIOATE (1:1), ETHANAMINE

Systematic Name

English

Code System Code Type Description

NSC

378893

Created by admin on Sat Dec 16 13:05:32 GMT 2023 , Edited by admin on Sat Dec 16 13:05:32 GMT 2023

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FDA UNII

D8Z5SF1XRL

Created by admin on Sat Dec 16 13:05:32 GMT 2023 , Edited by admin on Sat Dec 16 13:05:32 GMT 2023

PRIMARY

CAS

82874-39-3

Created by admin on Sat Dec 16 13:05:32 GMT 2023 , Edited by admin on Sat Dec 16 13:05:32 GMT 2023

PRIMARY

PUBCHEM

5385059

Created by admin on Sat Dec 16 13:05:32 GMT 2023 , Edited by admin on Sat Dec 16 13:05:32 GMT 2023

PRIMARY

Related Record Type Details


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2-((7-CHLORO-5-(2-CHLOROPHENYL)-4,5-DIHYDRO-4-METHYL-3H-1,4-BENZODIAZEPIN-2-YL)THIO)-N,N-DIMETHYL ETHANAMINE

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