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3403-42-7 | 10-[3-(dimethylammonio)propyl]-2-methoxy-10H-phenothiazinium maleate
CAS No: 3403-42-7 Catalog No: AG00CVF9 MDL No:
Product Description
Catalog Number:
AG00CVF9
Chemical Name:
10-[3-(dimethylammonio)propyl]-2-methoxy-10H-phenothiazinium maleate
CAS Number:
3403-42-7
IUPAC Name:
(Z)-but-2-enedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
InChI:
InChI=1S/C18H22N2OS.C4H4O4/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20;5-3(6)1-2-4(7)8/h4-5,7-10,13H,6,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
ZWLMLVIUWRUDBD-BTJKTKAUSA-N
EC Number:
222-277-9
UNII:
OR0RPY2Y2V
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
430.156g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
430.519g/mol
Monoisotopic Mass:
430.156g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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