LAURDIMONIUMHYDROXYPROPYL OLEYLDIGLUCOSIDE CHLORIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C47H92NO12.Cl
Molecular Weight	898.686
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 11
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of LAURDIMONIUMHYDROXYPROPYL OLEYLDIGLUCOSIDE CHLORIDE

Structure Search

SMILES

[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)COC[C@H]1O[C@H](OC[C@H]2O[C@@H](OCCCCCCCC\C=C/CCCCCCCC)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=XNZKJSPMISLENL-DILWDKNISA-M

InChI=1S/C47H92NO12.ClH/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-57-46-44(54)43(53)41(51)39(60-46)36-58-47-45(55)42(52)40(50)38(59-47)35-56-34-37(49)33-48(3,4)31-29-27-25-23-16-14-12-10-8-6-2;/h18-19,37-47,49-55H,5-17,20-36H2,1-4H3;1H/q+1;/p-1/b19-18-;/t37?,38-,39-,40-,41-,42+,43+,44-,45-,46-,47+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C47H91NO12
Molecular Weight	862.2249
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	1
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 11:16:34 GMT 2023` Edited by `admin` on `Sat Dec 16 11:16:34 GMT 2023`
Record UNII	5IBO48D05G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LAURDIMONIUMHYDROXYPROPYL OLEYLDIGLUCOSIDE CHLORIDE

Common Name

English

Code System Code Type Description

FDA UNII

5IBO48D05G

Created by admin on Sat Dec 16 11:16:34 GMT 2023 , Edited by admin on Sat Dec 16 11:16:34 GMT 2023

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PUBCHEM

139032863

Created by admin on Sat Dec 16 11:16:34 GMT 2023 , Edited by admin on Sat Dec 16 11:16:34 GMT 2023

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