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77862-93-2 | 1-(2-(di-(4-Fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine dimethanesulfonate
CAS No: 77862-93-2 Catalog No: AG0056WY MDL No:
Product Description
Catalog Number:
AG0056WY
Chemical Name:
1-(2-(di-(4-Fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine dimethanesulfonate
CAS Number:
77862-93-2
Molecular Formula:
C30H38F2N2O7S2
Molecular Weight:
640.7587
IUPAC Name:
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine;methanesulfonic acid
InChI:
InChI=1S/C28H30F2N2O.2CH4O3S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;2*1-5(2,3)4/h1-15,28H,16-22H2;2*1H3,(H,2,3,4)
InChI Key:
GETNYSZHXJZOLF-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CS(=O)(=O)O.Fc1ccc(cc1)C(c1ccc(cc1)F)OCCN1CCN(CC1)CC=Cc1ccccc1
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
640.209g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
640.758g/mol
Monoisotopic Mass:
640.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Literature
| Title | Journal |
|---|---|
| Behavioral properties of GBR 12909, GBR 13069 and GBR 13098: specific inhibitors of dopamine uptake. | European journal of pharmacology 19840817 |
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