1-(2,6-DIFLUOROPHENYL)-1,3-DIHYDRO-3-(2-(1-PIPERAZINYL- )ETHYL)-BENZOTHIADIAZOLE-S,S-DIOXIDE SUCCINATE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H20F2N4O2S.C4H6O4.H2O
Molecular Weight	530.542
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(2,6-DIFLUOROPHENYL)-1,3-DIHYDRO-3-(2-(1-PIPERAZINYL- )ETHYL)-BENZOTHIADIAZOLE-S,S-DIOXIDE SUCCINATE MONOHYDRATE

Structure Search

SMILES

O.OC(=O)CCC(O)=O.FC1=CC=CC(F)=C1N2C3=C(C=CC=C3)N(CCN4CCNCC4)S2(=O)=O

InChI

InChIKey=VIKDPETXXWMHLP-UHFFFAOYSA-N

InChI=1S/C18H20F2N4O2S.C4H6O4.H2O/c19-14-4-3-5-15(20)18(14)24-17-7-2-1-6-16(17)23(27(24,25)26)13-12-22-10-8-21-9-11-22;5-3(6)1-2-4(7)8;/h1-7,21H,8-13H2;1-2H2,(H,5,6)(H,7,8);1H2

HIDE SMILES / InChI

Molecular Formula	C18H20F2N4O2S
Molecular Weight	394.439
Charge	0
Count

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

Molecular Formula	C4H6O4
Molecular Weight	118.088
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:25:47 GMT 2023` Edited by `admin` on `Sat Dec 16 18:25:47 GMT 2023`
Record UNII	YEG5W92YXZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(2,6-DIFLUOROPHENYL)-1,3-DIHYDRO-3-(2-(1-PIPERAZINYL- )ETHYL)-BENZOTHIADIAZOLE-S,S-DIOXIDE SUCCINATE MONOHYDRATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

165412087

Created by admin on Sat Dec 16 18:25:47 GMT 2023 , Edited by admin on Sat Dec 16 18:25:47 GMT 2023

PRIMARY

FDA UNII

YEG5W92YXZ

Created by admin on Sat Dec 16 18:25:47 GMT 2023 , Edited by admin on Sat Dec 16 18:25:47 GMT 2023

PRIMARY

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1-(2,6-DIFLUOROPHENYL)-3-(2-PIPERAZIN-1-YLETHYL)-1,3-DIHYDRO-2,1,3-BENZOTHIADIAZOLE 2,2-DIOXIDE

PARENT -> SALT/SOLVATE

Amount:

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1-(2,6-DIFLUOROPHENYL)-3-(2-PIPERAZIN-1-YLETHYL)-1,3-DIHYDRO-2,1,3-BENZOTHIADIAZOLE 2,2-DIOXIDE

ACTIVE MOIETY

Amount: