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1063-55-4 | bis[1-[3-[2-(1-oxobutyl)-10H-phenothiazin-2-yl]propyl]-4-methylpiperazin-1-yl] maleate
CAS No: 1063-55-4 Catalog No: AG009LLH MDL No:
Product Description
Catalog Number:
AG009LLH
Chemical Name:
bis[1-[3-[2-(1-oxobutyl)-10H-phenothiazin-2-yl]propyl]-4-methylpiperazin-1-yl] maleate
CAS Number:
1063-55-4
IUPAC Name:
(Z)-but-2-enedioic acid;1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one
InChI:
InChI=1S/C24H31N3OS.2C4H4O4/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26;2*5-3(6)1-2-4(7)8/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChI Key:
WVYWSPZQGQMPKW-SPIKMXEPSA-N
EC Number:
213-900-5
UNII:
22VUW43J2H
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
641.241g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
641.736g/mol
Monoisotopic Mass:
641.241g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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