Sulfobetaine 16

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H45NO3S
Molecular Weight	391.652
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sulfobetaine 16

Structure Search

SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCCS([O-])(=O)=O

InChI

InChIKey=TUBRCQBRKJXJEA-UHFFFAOYSA-N

InChI=1S/C21H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2,3)20-18-21-26(23,24)25/h4-21H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C21H45NO3S
Molecular Weight	391.652
Charge	0
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 12:00:48 GMT 2023` Edited by `admin` on `Sat Dec 16 12:00:48 GMT 2023`
Record UNII	HAF4AM3VBF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sulfobetaine 16

Common Name

English

N-Palmityl sulfobetaine

Common Name

English

NSC-628322

Code

English

3-Cetyldimethylammonium-1-propanesulfonate

Common Name

English

N-HEXADECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE

Systematic Name

English

1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt

Systematic Name

English

Code System Code Type Description

NSC

628322

Created by admin on Sat Dec 16 12:00:48 GMT 2023 , Edited by admin on Sat Dec 16 12:00:48 GMT 2023

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PUBCHEM

92176

Created by admin on Sat Dec 16 12:00:48 GMT 2023 , Edited by admin on Sat Dec 16 12:00:48 GMT 2023

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FDA UNII

HAF4AM3VBF

Created by admin on Sat Dec 16 12:00:48 GMT 2023 , Edited by admin on Sat Dec 16 12:00:48 GMT 2023

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CAS

2281-11-0

Created by admin on Sat Dec 16 12:00:48 GMT 2023 , Edited by admin on Sat Dec 16 12:00:48 GMT 2023

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ECHA (EC/EINECS)

218-918-7

Created by admin on Sat Dec 16 12:00:48 GMT 2023 , Edited by admin on Sat Dec 16 12:00:48 GMT 2023

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EPA CompTox

DTXSID70177359

Created by admin on Sat Dec 16 12:00:48 GMT 2023 , Edited by admin on Sat Dec 16 12:00:48 GMT 2023

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