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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H26NOS2.Br
Molecular Weight 416.439
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIHEXINOL METHYLBROMIDE

SMILES

[Br-].C[N+](C)(C)[C@H]1CC[C@@H](CC1)C(O)(C2=CC=CS2)C3=CC=CS3

InChI

InChIKey=KDBBCFRGLKZRQJ-ZGTDKVADSA-M
InChI=1S/C18H26NOS2.BrH/c1-19(2,3)15-10-8-14(9-11-15)18(20,16-6-4-12-21-16)17-7-5-13-22-17;/h4-7,12-15,20H,8-11H2,1-3H3;1H/q+1;/p-1/t14-,15-;

HIDE SMILES / InChI

Approval Year

Name Type Language
THIHEXINOL METHYLBROMIDE
INN  
INN  
Official Name English
thihexinol methylbromide [INN]
Common Name English
(4-(HYDROXYDI-2-THIENYLMETHYL)CYCLOHEXYL)TRIMETHYLAMMONIUM BROMIDE
Systematic Name English
METHYL THIHEXINOLIUM BROMIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66880
Created by admin on Fri Dec 15 16:30:18 UTC 2023 , Edited by admin on Fri Dec 15 16:30:18 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C81449
Created by admin on Fri Dec 15 16:30:18 UTC 2023 , Edited by admin on Fri Dec 15 16:30:18 UTC 2023
PRIMARY
SMS_ID
100000082419
Created by admin on Fri Dec 15 16:30:18 UTC 2023 , Edited by admin on Fri Dec 15 16:30:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID10992907
Created by admin on Fri Dec 15 16:30:18 UTC 2023 , Edited by admin on Fri Dec 15 16:30:18 UTC 2023
PRIMARY
EVMPD
SUB10974MIG
Created by admin on Fri Dec 15 16:30:18 UTC 2023 , Edited by admin on Fri Dec 15 16:30:18 UTC 2023
PRIMARY
CAS
7219-91-2
Created by admin on Fri Dec 15 16:30:18 UTC 2023 , Edited by admin on Fri Dec 15 16:30:18 UTC 2023
PRIMARY
PUBCHEM
23643
Created by admin on Fri Dec 15 16:30:18 UTC 2023 , Edited by admin on Fri Dec 15 16:30:18 UTC 2023
PRIMARY
ChEMBL
CHEMBL2111175
Created by admin on Fri Dec 15 16:30:18 UTC 2023 , Edited by admin on Fri Dec 15 16:30:18 UTC 2023
PRIMARY
INN
845
Created by admin on Fri Dec 15 16:30:18 UTC 2023 , Edited by admin on Fri Dec 15 16:30:18 UTC 2023
PRIMARY
FDA UNII
03CPZ5439O
Created by admin on Fri Dec 15 16:30:18 UTC 2023 , Edited by admin on Fri Dec 15 16:30:18 UTC 2023
PRIMARY