Registration Dossier

General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
(6R)-6-Dimethylamino-4,4-diphenyl-heptan-3-one; compound with 2-(toluene-4-sulfonylamino)-pentanedioic acid

CAS information

CAS number:
1173188-35-6

Molecular and structural information

Molecular formula:
C21 H27 N O . C12 H15 N O6 S
Molecular weight:
610.78
SMILES notation:
C(C[C@H](N(C)C)C)(C(CC)=O)(C1=CC=CC=C1)C2=CC=CC=C2.[S;v6](N[C@@H](CCC(O)=O)C(O)=O)(=O)(=O)C3=CC=C(C=C3)C
InChl:
InChI=1S/C21H27NO.C12H15NO6S/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15/h6-15,17H,5,16H2,1-4H3;2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17)/t17-;10-/m10/s1
Structural formula:
Chemical structure