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Details

Stereochemistry EPIMERIC
Molecular Formula C43H86NO12.Cl
Molecular Weight 844.595
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MYRISTYLDIMONIUMHYDROXYPROPYL LAURYLDIGLUCOSIDE CHLORIDE

SMILES

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

InChI

InChIKey=ZLJQPTLETXMBDJ-JUUKKWJMSA-M
InChI=1S/C43H86NO12.ClH/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-44(3,4)29-33(45)30-52-31-34-36(46)38(48)41(51)43(55-34)54-32-35-37(47)39(49)40(50)42(56-35)53-28-26-24-22-20-16-14-12-10-8-6-2;/h33-43,45-51H,5-32H2,1-4H3;1H/q+1;/p-1/t33?,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C43H85NO12
Molecular Weight 808.1345
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
0J681OEC6I
Record Status Validated (UNII)
Record Version