Sulfobetaine 18

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H49NO3S
Molecular Weight	419.705
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sulfobetaine 18

Structure Search

SMILES

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

InChI

InChIKey=DIROHOMJLWMERM-UHFFFAOYSA-N

InChI=1S/C23H49NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27/h4-23H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C23H49NO3S
Molecular Weight	419.705
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 09:22:11 GMT 2023` Edited by `admin` on `Sat Dec 16 09:22:11 GMT 2023`
Record UNII	4NE23A2MJR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sulfobetaine 18

Common Name

English

3-(Octadecyldimethylammonio)-1-propanesulfonate

Common Name

English

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

Systematic Name

English

N-(Stearylamino)sulfobetaine

Common Name

English

Code System Code Type Description

CAS

13177-41-8

Created by admin on Sat Dec 16 09:22:11 GMT 2023 , Edited by admin on Sat Dec 16 09:22:11 GMT 2023

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EPA CompTox

DTXSID101015437

Created by admin on Sat Dec 16 09:22:11 GMT 2023 , Edited by admin on Sat Dec 16 09:22:11 GMT 2023

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ECHA (EC/EINECS)

236-124-9

Created by admin on Sat Dec 16 09:22:11 GMT 2023 , Edited by admin on Sat Dec 16 09:22:11 GMT 2023

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PUBCHEM

83205

Created by admin on Sat Dec 16 09:22:11 GMT 2023 , Edited by admin on Sat Dec 16 09:22:11 GMT 2023

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FDA UNII

4NE23A2MJR

Created by admin on Sat Dec 16 09:22:11 GMT 2023 , Edited by admin on Sat Dec 16 09:22:11 GMT 2023

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