MYRISTAMIDOPROPYL ETHYLDIMONIUM ETHOSULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H53N2O.C2H5O4S
Molecular Weight	522.825
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MYRISTAMIDOPROPYL ETHYLDIMONIUM ETHOSULFATE

Structure Search

SMILES

CCOS([O-])(=O)=O.CCCCCCCCCCCCCC(=O)NCCC[N+](CC)(CCC)CCC

InChI

InChIKey=PAWFKGLQVIXKFZ-UHFFFAOYSA-N

InChI=1S/C25H52N2O.C2H6O4S/c1-5-9-10-11-12-13-14-15-16-17-18-20-25(28)26-21-19-24-27(8-4,22-6-2)23-7-3;1-2-6-7(3,4)5/h5-24H2,1-4H3;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	C25H53N2O
Molecular Weight	397.7011
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 01:14:39 GMT 2023` Edited by `admin` on `Sat Dec 16 01:14:39 GMT 2023`
Record UNII	3FT1Q7076M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MYRISTAMIDOPROPYL ETHYLDIMONIUM ETHOSULFATE

Common Name

English

SULFURIC ACID, MONOETHYL ESTER, ION(1-), N-ETHYL-3-((1-OXOTETRADECYL)AMINO)-N,N-DIPROPYL-1-PROPANAMINIUM

Common Name

English

1-PROPANAMINIUM, N-ETHYL-3-((1-OXOTETRADECYL)AMINO)-N,N-DIPROPYL-, ETHYL SULFATE (1:1)

Common Name

English

1-PROPANAMINIUM, N-ETHYL-3-((1-OXOTETRADECYL)AMINO)-N,N-DIPROPYL-, ETHYL SULFATE

Common Name

English

Code System Code Type Description

FDA UNII

3FT1Q7076M

Created by admin on Sat Dec 16 01:14:40 GMT 2023 , Edited by admin on Sat Dec 16 01:14:40 GMT 2023

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EPA CompTox

DTXSID80220385

Created by admin on Sat Dec 16 01:14:40 GMT 2023 , Edited by admin on Sat Dec 16 01:14:40 GMT 2023

PRIMARY

CAS

70102-54-4

Created by admin on Sat Dec 16 01:14:40 GMT 2023 , Edited by admin on Sat Dec 16 01:14:40 GMT 2023

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PUBCHEM

71587242

Created by admin on Sat Dec 16 01:14:40 GMT 2023 , Edited by admin on Sat Dec 16 01:14:40 GMT 2023

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ETHYL SULFATE

PARENT -> SALT/SOLVATE