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184025-19-2 | Ciproxifan maleate(FUB-359 maleate)
CAS No: 184025-19-2 Catalog No: AG003OX2 MDL No:MFCD06411563
Product Description
Catalog Number:
AG003OX2
Chemical Name:
Ciproxifan maleate(FUB-359 maleate)
CAS Number:
184025-19-2
Molecular Formula:
C20H22N2O6
Molecular Weight:
386.3985
MDL Number:
MFCD06411563
IUPAC Name:
(Z)-but-2-enedioic acid;cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone
InChI:
InChI=1S/C16H18N2O2.C4H4O4/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14;5-3(6)1-2-4(7)8/h5-8,10-12H,1-4,9H2,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
RLQFKEYRALXXEJ-BTJKTKAUSA-N
SMILES:
O=C(c1ccc(cc1)OCCCc1nc[nH]c1)C1CC1.OC(=O)/C=C\C(=O)O
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
386.148g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
386.404g/mol
Monoisotopic Mass:
386.148g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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