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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H19NS.C4H4O4
Molecular Weight 409.498
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PIMETHIXENE MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CN1CCC(CC1)=C2C3=C(SC4=C2C=CC=C4)C=CC=C3

InChI

InChIKey=IPANUAHQWFDVAG-BTJKTKAUSA-N
InChI=1S/C19H19NS.C4H4O4/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19;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 C19H19NS
Molecular Weight 293.426
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 04:54:44 UTC 2023
Edited
by admin
on Sat Dec 16 04:54:44 UTC 2023
Record UNII
U22U244M9X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIMETHIXENE MALEATE
WHO-DD  
Common Name English
Pimethixene maleate [WHO-DD]
Common Name English
1-METHYL-4-(THIOXANTHEN-9-YLIDENE)PIPERIDINE MALEATE
Systematic Name English
PIMETHIXENE MALEATE SALT
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29578
Created by admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
236-141-1
Created by admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID7045863
Created by admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
PRIMARY
FDA UNII
U22U244M9X
Created by admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
PRIMARY
CAS
13187-06-9
Created by admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
PRIMARY
NCI_THESAURUS
C97703
Created by admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
PRIMARY
PUBCHEM
5702167
Created by admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY