THIHEXINOL METHYLBROMIDE

First approved in 1960

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 Search

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

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C18H25NOS2
Molecular Weight	335.527
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/13773993

Methyl thihexinolium (or thihexinol methylbromide) can inhibit the intestinal hypermotility. Information about the current use of this compound is not available.

Approval Year

Sourcing

Vendor/Aggregator	ID	URL
ABI Chem	AC1L2MSF
ABI Chem	AC1Q7753
PubChem	23644	https://pubchem.ncbi.nlm.nih.gov/compound/23644

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:30:18 GMT 2023` Edited by `admin` on `Fri Dec 15 16:30:18 GMT 2023`
Record UNII	03CPZ5439O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THIHEXINOL METHYLBROMIDE

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