LAURDIMONIUMHYDROXYPROPYL CETYLDIGLUCOSIDE CHLORIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C45H90NO12.Cl
Molecular Weight	872.649
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LAURDIMONIUMHYDROXYPROPYL CETYLDIGLUCOSIDE CHLORIDE

Structure Search

SMILES

[Cl-].CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](COCC(O)C[N+](C)(C)CCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=JSWDCCIUDIFSLJ-UCXIDNIJSA-M

InChI=1S/C45H90NO12.ClH/c1-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-55-44-42(52)41(51)39(49)37(58-44)34-56-45-43(53)40(50)38(48)36(57-45)33-54-32-35(47)31-46(3,4)29-27-25-23-21-16-14-12-10-8-6-2;/h35-45,47-53H,5-34H2,1-4H3;1H/q+1;/p-1/t35?,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C45H89NO12
Molecular Weight	836.1877
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

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	A93S8X2A2X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LAURDIMONIUMHYDROXYPROPYL CETYLDIGLUCOSIDE CHLORIDE

Common Name

English

Code System Code Type Description

FDA UNII

A93S8X2A2X

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

139033017

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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