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Reference substance information

IUPAC name:
Protein hydrolyzates, wool, reaction products with 3-chloro-2-hydroxypropyl-cocoalkyl-dimethylammonium chloride
Synonyms
Names:
Identifier:
common name
Cocodimonium hydroxypropyl hydrolysed wool
Identifier:
other: Chemical name
Wool hydrolyzates, 2-hydroxy-3-(cocoalkyldimethylammonio)propyl derivatives, chlorides

Molecular and structural information

Molecular formula:
Molecular formula of major active constituents:
C22H45Cl1N2O5 (representative for C12 alkyl chain quaternised glutamic acid)
C23H50Cl1N5O3 (representative for C12 alkyl chain quaternised arginine)
C28H57Cl1N6O6 (representative for C12 alkyl chain quaternised peptides of arginine and glutamic acid)
Molecular weight:
ca. 290 - ca. 609.26
SMILES notation:
SMILES of major active constituents:
[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)CNC(CCC(O)=O)C(O)=O (representative of C12 alkyl chain quaternised glutamic acid)
[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)CNC(CCCNC(N)=N)C(O)=O (Representative of C12 alkyl chain quaternised arginine)
[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)CNC(CCCNC(N)=N)C(=O)NC(CCC(O)=O)C(O)=O (representative of C12 alkyl chain and the dipeptide arginine/glutamic acid)
InChl:
InChI of major active constituents:
InChI=1/C22H44N2O5.ClH/c1-4-5-6-7-8-9-10-11-12-13-16-24(2,3)18-19(25)17-23-20(22(28)29)14-15-21(26)27;/h19-20,23,25H,4-18H2,1-3H3,(H-,26,27,28,29);1H (representative of C12 alkyl chain quaternised glutamic acid)
InChI=1/C23H49N5O3.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-28(2,3)19-20(29)18-27-21(22(30)31)15-14-16-26-23(24)25;/h20-21,27,29H,4-19H2,1-3H3,(H4-,24,25,26,30,31);1H (Representative of C12 alkyl chain quaternised arginine)
InChI=1/C28H56N6O6.ClH/c1-4-5-6-7-8-9-10-11-12-13-19-34(2,3)21-22(35)20-32-23(15-14-18-31-28(29)30)26(38)33-24(27(39)40)16-17-25(36)37;/h22-24,32,35H,4-21H2,1-3H3,(H6-,29,30,31,33,36,37,38,39,40);1H (Representative of C12 alkyl chain quaternised peptides of arginine and glutamic acid)
Structural formula:
Chemical structure