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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H19N.C4H4O4
Molecular Weight 377.433
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SETIPTILINE MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CN1CCC2=C(C1)C3=C(CC4=C2C=CC=C4)C=CC=C3

InChI

InChIKey=AVPIBVPBCWBXIU-BTJKTKAUSA-N
InChI=1S/C19H19N.C4H4O4/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C19H19N
Molecular Weight 261.3609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 01:37:34 UTC 2023
Edited
by admin
on Sat Dec 16 01:37:34 UTC 2023
Record UNII
9VOZ30EO2Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SETIPTILINE MALEATE
JAN   WHO-DD  
Common Name English
BISOPOOL
Brand Name English
SETIPTILINE MALEATE [MI]
Common Name English
TECIPUL
Brand Name English
MO-8282
Code English
2,3,4,9-TETRAHYDRO-2-METHYL-1H-DIBENZO(3,4:6,7)CYCLOHEPTA(1,2-C)PYRIDYL MALEATE
Systematic Name English
Setiptiline maleate [WHO-DD]
Common Name English
SETIPTILINE MALEATE [JAN]
Common Name English
Code System Code Type Description
EVMPD
SUB21582
Created by admin on Sat Dec 16 01:37:34 UTC 2023 , Edited by admin on Sat Dec 16 01:37:34 UTC 2023
PRIMARY
SMS_ID
100000084886
Created by admin on Sat Dec 16 01:37:34 UTC 2023 , Edited by admin on Sat Dec 16 01:37:34 UTC 2023
PRIMARY
ChEMBL
CHEMBL2104895
Created by admin on Sat Dec 16 01:37:34 UTC 2023 , Edited by admin on Sat Dec 16 01:37:34 UTC 2023
PRIMARY
PUBCHEM
5282470
Created by admin on Sat Dec 16 01:37:34 UTC 2023 , Edited by admin on Sat Dec 16 01:37:34 UTC 2023
PRIMARY
DRUG BANK
DBSALT001293
Created by admin on Sat Dec 16 01:37:34 UTC 2023 , Edited by admin on Sat Dec 16 01:37:34 UTC 2023
PRIMARY
CHEBI
176786
Created by admin on Sat Dec 16 01:37:34 UTC 2023 , Edited by admin on Sat Dec 16 01:37:34 UTC 2023
PRIMARY
MERCK INDEX
m11743
Created by admin on Sat Dec 16 01:37:34 UTC 2023 , Edited by admin on Sat Dec 16 01:37:34 UTC 2023
PRIMARY
FDA UNII
9VOZ30EO2Y
Created by admin on Sat Dec 16 01:37:34 UTC 2023 , Edited by admin on Sat Dec 16 01:37:34 UTC 2023
PRIMARY
CAS
85650-57-3
Created by admin on Sat Dec 16 01:37:34 UTC 2023 , Edited by admin on Sat Dec 16 01:37:34 UTC 2023
PRIMARY
CHEBI
135076
Created by admin on Sat Dec 16 01:37:34 UTC 2023 , Edited by admin on Sat Dec 16 01:37:34 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE