BUTYLDIMONIUMHYDROXYPROPYL BUTYLDIGLUCOSIDE CHLORIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C25H50NO12.Cl
Molecular Weight	592.117
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTYLDIMONIUMHYDROXYPROPYL BUTYLDIGLUCOSIDE CHLORIDE

Structure Search

SMILES

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

InChI

InChIKey=PFFGNZQYPLBAKM-GHESWPMRSA-M

InChI=1S/C25H50NO12.ClH/c1-5-7-9-26(3,4)11-15(27)12-34-13-16-18(28)20(30)23(33)25(37-16)36-14-17-19(29)21(31)22(32)24(38-17)35-10-8-6-2;/h15-25,27-33H,5-14H2,1-4H3;1H/q+1;/p-1/t15?,16-,17-,18-,19-,20+,21+,22-,23-,24-,25+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C25H49NO12
Molecular Weight	555.6561
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	10 / 12
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 `Mon Mar 31 23:20:06 GMT 2025` Edited by `admin` on `Mon Mar 31 23:20:06 GMT 2025`
Record UNII	6X57DY30KD
Record Status	`Validated (UNII)`
Record Version

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BUTYLDIMONIUMHYDROXYPROPYL BUTYLDIGLUCOSIDE CHLORIDE

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Code System Code Type Description

FDA UNII

6X57DY30KD

Created by admin on Mon Mar 31 23:20:06 GMT 2025 , Edited by admin on Mon Mar 31 23:20:06 GMT 2025

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PUBCHEM

139032955

Created by admin on Mon Mar 31 23:20:06 GMT 2025 , Edited by admin on Mon Mar 31 23:20:06 GMT 2025

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