U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C20H24N2S2.C4H4O4
Molecular Weight 472.62
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METITEPINE MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CSC1=CC=C2SC3=C(CC(N4CCN(C)CC4)C2=C1)C=CC=C3

InChI

InChIKey=IWDBEHWZGDSFHR-BTJKTKAUSA-N
InChI=1S/C20H24N2S2.C4H4O4/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;5-3(6)1-2-4(7)8/h3-8,14,18H,9-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C20H24N2S2
Molecular Weight 356.548
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P28221
Gene ID: 3352.0
Gene Symbol: HTR1D
Target Organism: Homo sapiens (Human)
Target ID: P34969
Gene ID: 3363.0
Gene Symbol: HTR7
Target Organism: Homo sapiens (Human)
Target ID: P50406
Gene ID: 3362.0
Gene Symbol: HTR6
Target Organism: Homo sapiens (Human)
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:50:12 GMT 2025
Edited
by admin
on Mon Mar 31 17:50:12 GMT 2025
Record UNII
LVP2XBC3GA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METITEPINE MALEATE
MI  
Common Name English
METITEPINE MALEATE [MI]
Preferred Name English
METITEPIN MALEATE
Common Name English
PIPERAZINE, 1-(10,11-DIHYDRO-8-(METHYLTHIO)DIBENZO(B,F)THIEPIN-10-YL)-4-METHYL-, (Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
PIPERAZINE, 1-(10,11-DIHYDRO-8-(METHYLTHIO)DIBENZO(B,F)THIEPIN-10-YL)-4-METHYL-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
PIPERAZINE, 1-(10,11-DIHYDRO-8-(METHYLTHIO)DIBENZO(B,F)THIEPIN-10-YL)-4-METHYL-, MALEATE (1:1)
Systematic Name English
METHIOTHEPIN MALEATE
Common Name English
Code System Code Type Description
CHEBI
64202
Created by admin on Mon Mar 31 17:50:12 GMT 2025 , Edited by admin on Mon Mar 31 17:50:12 GMT 2025
PRIMARY
CAS
19728-88-2
Created by admin on Mon Mar 31 17:50:12 GMT 2025 , Edited by admin on Mon Mar 31 17:50:12 GMT 2025
PRIMARY
FDA UNII
LVP2XBC3GA
Created by admin on Mon Mar 31 17:50:12 GMT 2025 , Edited by admin on Mon Mar 31 17:50:12 GMT 2025
PRIMARY
PUBCHEM
5358812
Created by admin on Mon Mar 31 17:50:12 GMT 2025 , Edited by admin on Mon Mar 31 17:50:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID8042630
Created by admin on Mon Mar 31 17:50:12 GMT 2025 , Edited by admin on Mon Mar 31 17:50:12 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE