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

Details

Stereochemistry RACEMIC
Molecular Formula C21H25N2S.I
Molecular Weight 464.406
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MEQUITAMIUM IODIDE

SMILES

[I-].C[N+]12CCC(CC1)C(CN3C4=CC=CC=C4SC5=C3C=CC=C5)C2

InChI

InChIKey=SWVANDLDSRKJFI-UHFFFAOYSA-M
InChI=1S/C21H25N2S.HI/c1-23-12-10-16(11-13-23)17(15-23)14-22-18-6-2-4-8-20(18)24-21-9-5-3-7-19(21)22;/h2-9,16-17H,10-15H2,1H3;1H/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
MEQUITAMIUM IODIDE
INN  
INN  
Official Name English
mequitamium iodide [INN]
Common Name English
(±)-1-METHYL-3-(PHENOTHIAZIN-10-YLMETHYL)QUINUCLIDINIUM IODIDE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29578
Created by admin on Fri Dec 15 17:15:49 UTC 2023 , Edited by admin on Fri Dec 15 17:15:49 UTC 2023
NCI_THESAURUS C29704
Created by admin on Fri Dec 15 17:15:49 UTC 2023 , Edited by admin on Fri Dec 15 17:15:49 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C83919
Created by admin on Fri Dec 15 17:15:49 UTC 2023 , Edited by admin on Fri Dec 15 17:15:49 UTC 2023
PRIMARY
FDA UNII
50D69ZKZ7M
Created by admin on Fri Dec 15 17:15:49 UTC 2023 , Edited by admin on Fri Dec 15 17:15:49 UTC 2023
PRIMARY
SMS_ID
100000081687
Created by admin on Fri Dec 15 17:15:49 UTC 2023 , Edited by admin on Fri Dec 15 17:15:49 UTC 2023
PRIMARY
CAS
101396-42-3
Created by admin on Fri Dec 15 17:15:49 UTC 2023 , Edited by admin on Fri Dec 15 17:15:49 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110960
Created by admin on Fri Dec 15 17:15:49 UTC 2023 , Edited by admin on Fri Dec 15 17:15:49 UTC 2023
PRIMARY
PUBCHEM
72028
Created by admin on Fri Dec 15 17:15:49 UTC 2023 , Edited by admin on Fri Dec 15 17:15:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID50906129
Created by admin on Fri Dec 15 17:15:49 UTC 2023 , Edited by admin on Fri Dec 15 17:15:49 UTC 2023
PRIMARY
EVMPD
SUB08765MIG
Created by admin on Fri Dec 15 17:15:49 UTC 2023 , Edited by admin on Fri Dec 15 17:15:49 UTC 2023
PRIMARY
INN
6399
Created by admin on Fri Dec 15 17:15:49 UTC 2023 , Edited by admin on Fri Dec 15 17:15:49 UTC 2023
PRIMARY