Dimethylcaracurie V
FEATURES
Loading...
NAMES
  • 4,4'-Dimethylcaracurinium V Dichloride
  • Dimethylcaracurie V
SMILES
C[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2.[Cl-].[Cl-]
InChI
InChI=1S/C40H46N4O2.2ClH/c1-43-15-13-39-27-7-3-5-9-29(27)41-35(39)33-25(19-31(39)43)23(21-43)11-17-45-37(33)42-30-10-6-4-8-28(30)40-14-16-44(2)22-24-12-18-46-38(41)34(36(40)42)26(24)20-32(40)44;;/h3-12,25-26,31-38H,13-22H2,1-2H3;2*1H/q+2;;/p-2/t25-,26-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,43?,44?;;/m0../s1
MOLECULAR FORMULA
C40H46Cl2N4O2
CROSS REFERENCES
Loading...
Dimethylcaracurie V
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight684.30
AlogP-1.44
HBond donors0
HBond acceptors6
Atoms94
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Dimethylcaracurie V.