LAURDIMONIUMHYDROXYPROPYL CETYLGLUCOSIDE CHLORIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C39H80NO7.Cl
Molecular Weight	710.508
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LAURDIMONIUMHYDROXYPROPYL CETYLGLUCOSIDE CHLORIDE

Structure Search

SMILES

[Cl-].CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](COCC(O)C[N+](C)(C)CCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=BQOTZISEVZXCAI-MJVHGWAASA-M

InChI=1S/C39H80NO7.ClH/c1-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-46-39-38(44)37(43)36(42)35(47-39)33-45-32-34(41)31-40(3,4)29-27-25-23-21-16-14-12-10-8-6-2;/h34-39,41-44H,5-33H2,1-4H3;1H/q+1;/p-1/t34?,35-,36-,37+,38-,39-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C39H79NO7
Molecular Weight	674.0471
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
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 11:16:35 GMT 2023` Edited by `admin` on `Sat Dec 16 11:16:35 GMT 2023`
Record UNII	X29V4DDF1D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LAURDIMONIUMHYDROXYPROPYL CETYLGLUCOSIDE CHLORIDE

Common Name

English

N-(3-(((2R,3S,4S,5R,6R)-6-(HEXADECYLOXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)METHOXY)-2-HYDROXYPROPYL)-N,N-DIMETHYLDODECAN-1-AMINIUM CHLORIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

X29V4DDF1D

Created by admin on Sat Dec 16 11:16:35 GMT 2023 , Edited by admin on Sat Dec 16 11:16:35 GMT 2023

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PUBCHEM

139033211

Created by admin on Sat Dec 16 11:16:35 GMT 2023 , Edited by admin on Sat Dec 16 11:16:35 GMT 2023

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