PALMAMIDOPROPYL ETHYLDIMONIUM ETHOSULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H49N2O.C2H5O4S
Molecular Weight	494.772
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PALMAMIDOPROPYL ETHYLDIMONIUM ETHOSULFATE

Structure Search

SMILES

CCOS([O-])(=O)=O.CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC

InChI

InChIKey=YKFCMAQGLLCGBO-UHFFFAOYSA-N

InChI=1S/C23H48N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(3,4)6-2;1-2-6-7(3,4)5/h5-22H2,1-4H3;2H2,1H3,(H,3,4,5)

HIDE SMILES / InChI

Molecular Formula	C2H5O4S
Molecular Weight	125.124
Charge	-1
Count

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

Molecular Formula	C23H49N2O
Molecular Weight	369.648
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 00:22:19 GMT 2023` Edited by `admin` on `Sat Dec 16 00:22:19 GMT 2023`
Record UNII	U3Y9W1AL62
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PALMAMIDOPROPYL ETHYLDIMONIUM ETHOSULFATE

Common Name

English

SULFURIC ACID, MONOETHYL ESTER, ION(1-), N-ETHYL-N,N-DIMETHYL-3-((1-OXOHEXADECYL)AMINO)-1-PROPANAMINIUM

Common Name

English

1-PROPANAMINIUM, N-ETHYL-N,N-DIMETHYL-3-((1-OXOHEXADECYL)AMINO)-, ETHYL SULFATE

Common Name

English

1-PROPANAMINIUM, N-ETHYL-N,N-DIMETHYL-3-((1-OXOHEXADECYL)AMINO)-, ETHYL SULFATE (1:1)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60220449

Created by admin on Sat Dec 16 00:22:19 GMT 2023 , Edited by admin on Sat Dec 16 00:22:19 GMT 2023

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PUBCHEM

71587247

Created by admin on Sat Dec 16 00:22:19 GMT 2023 , Edited by admin on Sat Dec 16 00:22:19 GMT 2023

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CAS

70170-68-2

Created by admin on Sat Dec 16 00:22:19 GMT 2023 , Edited by admin on Sat Dec 16 00:22:19 GMT 2023

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FDA UNII

U3Y9W1AL62

Created by admin on Sat Dec 16 00:22:19 GMT 2023 , Edited by admin on Sat Dec 16 00:22:19 GMT 2023

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ETHYL SULFATE

PARENT -> SALT/SOLVATE