Candicine

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H18NO
Molecular Weight	180.2667
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

C[N+](C)(C)CCC1=CC=C(O)C=C1

InChI

InChIKey=PTOJXIKSKSASRB-UHFFFAOYSA-O

InChI=1S/C11H17NO/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3/p+1

HIDE SMILES / InChI

Molecular Formula	C11H17NO
Molecular Weight	179.2588
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
A comparison of the crystal structures of some quaternary trimethylammonium salts related to dopamine and noradrenaline with those of the corresponding amines: a comment on their nicotine-like biological activities.	1989-08-01	2619962

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:16:49 GMT 2025` Edited by `admin` on `Mon Mar 31 20:16:49 GMT 2025`
Record UNII	5V2TJ5H9Z8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Hydroxy-N,N,N-trimethylbenzeneethanaminium

Preferred Name

English

Candicine

Common Name

English

Candicin

Common Name

English

Benzeneethanaminium, 4-hydroxy-N,N,N-trimethyl-

Systematic Name

English

Ammonium, (p-hydroxyphenethyl)trimethyl-

Common Name

English

Code System Code Type Description

CAS

6656-13-9

Created by admin on Mon Mar 31 20:16:49 GMT 2025 , Edited by admin on Mon Mar 31 20:16:49 GMT 2025

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WIKIPEDIA

Candicine

Created by admin on Mon Mar 31 20:16:49 GMT 2025 , Edited by admin on Mon Mar 31 20:16:49 GMT 2025

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FDA UNII

5V2TJ5H9Z8

Created by admin on Mon Mar 31 20:16:49 GMT 2025 , Edited by admin on Mon Mar 31 20:16:49 GMT 2025

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PUBCHEM

23135

Created by admin on Mon Mar 31 20:16:49 GMT 2025 , Edited by admin on Mon Mar 31 20:16:49 GMT 2025

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