BUTYRYLTHIOCHOLINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H20NOS
Molecular Weight	190.326
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of BUTYRYLTHIOCHOLINE

Structure Search

SMILES

CCCC(=O)SCC[N+](C)(C)C

InChI

InChIKey=AWBGQVBMGBZGLS-UHFFFAOYSA-N

InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1

HIDE SMILES / InChI

Molecular Formula	C9H20NOS
Molecular Weight	190.326
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:56:38 GMT 2023` Edited by `admin` on `Sat Dec 16 16:56:38 GMT 2023`
Record UNII	K8D83KI04M
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BUTYRYLTHIOCHOLINE

Systematic Name

English

ETHANAMINIUM, N,N,N-TRIMETHYL-2-((1-OXOBUTYL)THIO)-

Systematic Name

English

N,N,N-TRIMETHYL-2-((1-OXOBUTYL)THIO)ETHANAMINIUM

Systematic Name

English

Code System Code Type Description

CHEBI

41055

Created by admin on Sat Dec 16 16:56:38 GMT 2023 , Edited by admin on Sat Dec 16 16:56:38 GMT 2023

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CAS

4555-00-4

Created by admin on Sat Dec 16 16:56:38 GMT 2023 , Edited by admin on Sat Dec 16 16:56:38 GMT 2023

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EPA CompTox

DTXSID00196553

Created by admin on Sat Dec 16 16:56:38 GMT 2023 , Edited by admin on Sat Dec 16 16:56:38 GMT 2023

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FDA UNII

K8D83KI04M

Created by admin on Sat Dec 16 16:56:38 GMT 2023 , Edited by admin on Sat Dec 16 16:56:38 GMT 2023

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DRUG BANK

DB04250

Created by admin on Sat Dec 16 16:56:38 GMT 2023 , Edited by admin on Sat Dec 16 16:56:38 GMT 2023

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PUBCHEM

20689

Created by admin on Sat Dec 16 16:56:38 GMT 2023 , Edited by admin on Sat Dec 16 16:56:38 GMT 2023

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