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Details

Stereochemistry ACHIRAL
Molecular Formula C22H23Cl2N3OS
Molecular Weight 448.409
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ELZASONAN

SMILES

CN1CCN(CC1)C2=CC=CC=C2\C=C3/SCCN(C3=O)C4=CC(Cl)=C(Cl)C=C4

InChI

InChIKey=LHYMPSWMHXUWSK-STZFKDTASA-N
InChI=1S/C22H23Cl2N3OS/c1-25-8-10-26(11-9-25)20-5-3-2-4-16(20)14-21-22(28)27(12-13-29-21)17-6-7-18(23)19(24)15-17/h2-7,14-15H,8-13H2,1H3/b21-14-

HIDE SMILES / InChI
Molecular Formula C22H23Cl2N3OS
Molecular Weight 448.409
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:35:16 UTC 2023
Edited
by admin
on Fri Dec 15 15:35:16 UTC 2023
Record UNII
933PJL964R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ELZASONAN
INN  
INN  
Official Name English
(2Z)-4-(3,4-DICHLORPHENYL)-2-(2-(4-METHYLPIPERAZIN-1-YL)BENZYLIDENE)THIOMORPHOLIN-3-ONE
Common Name English
3-THIOMORPHOLINONE, 4-(3,4-DICHLORPHENYL)-2-((2-(4-METHYL-1-PIPERAZINYL) PHENYL)METHYLENE)-, (2Z)-
Common Name English
elzasonan [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66885
Created by admin on Fri Dec 15 15:35:16 UTC 2023 , Edited by admin on Fri Dec 15 15:35:16 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID7047277
Created by admin on Fri Dec 15 15:35:16 UTC 2023 , Edited by admin on Fri Dec 15 15:35:16 UTC 2023
PRIMARY
FDA UNII
933PJL964R
Created by admin on Fri Dec 15 15:35:16 UTC 2023 , Edited by admin on Fri Dec 15 15:35:16 UTC 2023
PRIMARY
CAS
205683-28-9
Created by admin on Fri Dec 15 15:35:16 UTC 2023 , Edited by admin on Fri Dec 15 15:35:16 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
6914152
Created by admin on Fri Dec 15 15:35:16 UTC 2023 , Edited by admin on Fri Dec 15 15:35:16 UTC 2023
PRIMARY
MESH
C556408
Created by admin on Fri Dec 15 15:35:16 UTC 2023 , Edited by admin on Fri Dec 15 15:35:16 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110932
Created by admin on Fri Dec 15 15:35:16 UTC 2023 , Edited by admin on Fri Dec 15 15:35:16 UTC 2023
PRIMARY
NCI_THESAURUS
C72755
Created by admin on Fri Dec 15 15:35:16 UTC 2023 , Edited by admin on Fri Dec 15 15:35:16 UTC 2023
PRIMARY
CAS
361343-19-3
Created by admin on Fri Dec 15 15:35:16 UTC 2023 , Edited by admin on Fri Dec 15 15:35:16 UTC 2023
PRIMARY
INN
8240
Created by admin on Fri Dec 15 15:35:16 UTC 2023 , Edited by admin on Fri Dec 15 15:35:16 UTC 2023
PRIMARY
SMS_ID
300000036934
Created by admin on Fri Dec 15 15:35:16 UTC 2023 , Edited by admin on Fri Dec 15 15:35:16 UTC 2023
PRIMARY
Related Record Type Details
Structure of ELZASONAN HYDROCHLORIDE
PARENT -> SALT/SOLVATE
Structure of ELZASONAN CITRATE
SALT/SOLVATE -> PARENT
Structure of ELZASONAN HYDROCHLORIDE
SALT/SOLVATE -> PARENT
5-HYDROXYTRYPTAMINE RECEPTOR 1B
TARGET->ANTAGONIST
Structure of ELZASONAN CITRATE
SALT/SOLVATE -> PARENT
Structure of ELZASONAN
EXCRETED UNCHANGED
FECAL
Structure of ELZASONAN
EXCRETED UNCHANGED
URINE
Related Record Type Details
Structure of (2Z)-4-(3,4-DICHLOROPHENYL)-2-((5-HYDROXY-2-(4-METHYL-1-PIPERAZINYL)PHENYL)METHYLENE)-3-THIOMORPHOLINONE
METABOLITE -> PARENT
FECAL
Structure of (2Z)-4-(3,4-DICHLOROPHENYL)-2-((2-(4-METHYL-4-OXIDO-1-PIPERAZINYL)PHENYL)METHYLENE)-3-THIOMORPHOLINONE
METABOLITE -> PARENT
PLASMA
Structure of 3-THIOMORPHOLINONE, 4-(3,4-DICHLOROPHENYL)-2-(1,2,3,4-TETRAHYDRO-2-METHYLPYRAZINO(1,2-A)INDOL-10-YL)-
METABOLITE -> PARENT
PLASMA
Structure of 3-THIOMORPHOLINONE, 4-(3,4-DICHLOROPHENYL)-2-(1,2,3,4-TETRAHYDRO-2-METHYLPYRAZINO(1,2-A)INDOL-10-YL)-
METABOLITE -> PARENT
M6 accounted (average of six human subjects) for 5.6% (sum of M5 and M6) of the administered dose in feces
FECAL
Structure of (2Z)-4-(3,4-DICHLOROPHENYL)-2-((2-(4-METHYL-4-OXIDO-1-PIPERAZINYL)PHENYL)METHYLENE)-3-THIOMORPHOLINONE
METABOLITE -> PARENT
URINE
Structure of (2Z)-4-(3,4-DICHLOROPHENYL)-2-((2-(1-PIPERAZINYL)PHENYL)METHYLENE)-3-THIOMORPHOLINONE
METABOLITE -> PARENT
PLASMA
Structure of (2Z)-4-(3,4-DICHLOROPHENYL)-2-((2-(4-METHYL-4-OXIDO-1-PIPERAZINYL)PHENYL)METHYLENE)-3-THIOMORPHOLINONE
METABOLITE -> PARENT
sum of M5 and M6 counted for 5.6% of the administered dose in feces
FECAL
Related Record Type Details
Structure of ELZASONAN
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

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