MYRISTYLDIMONIUMHYDROXYPROPYL OCTYLDIGLUCOSIDE CHLORIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C39H78NO12.Cl
Molecular Weight	788.489
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MYRISTYLDIMONIUMHYDROXYPROPYL OCTYLDIGLUCOSIDE CHLORIDE

Structure Search

SMILES

[Cl-].CCCCCCCCCCCCCC[N+](C)(C)CC(O)COC[C@H]1O[C@H](OC[C@H]2O[C@@H](OCCCCCCCC)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=JRMVUXYJTKFTJY-WLUUJBEGSA-M

InChI=1S/C39H78NO12.ClH/c1-5-7-9-11-13-14-15-16-17-18-19-21-23-40(3,4)25-29(41)26-48-27-30-32(42)34(44)37(47)39(51-30)50-28-31-33(43)35(45)36(46)38(52-31)49-24-22-20-12-10-8-6-2;/h29-39,41-47H,5-28H2,1-4H3;1H/q+1;/p-1/t29?,30-,31-,32-,33-,34+,35+,36-,37-,38-,39+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C39H77NO12
Molecular Weight	752.0282
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
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 10:17:02 GMT 2023` Edited by `admin` on `Sat Dec 16 10:17:02 GMT 2023`
Record UNII	SFM06F4M37
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MYRISTYLDIMONIUMHYDROXYPROPYL OCTYLDIGLUCOSIDE CHLORIDE

Common Name

English

Code System Code Type Description

PUBCHEM

139033138

Created by admin on Sat Dec 16 10:17:02 GMT 2023 , Edited by admin on Sat Dec 16 10:17:02 GMT 2023

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FDA UNII

SFM06F4M37

Created by admin on Sat Dec 16 10:17:02 GMT 2023 , Edited by admin on Sat Dec 16 10:17:02 GMT 2023

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