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7455-18-7 | 2-Acetyl-10-(2-(dimethylammonio)propyl)-10H-phenothiazinium maleate
CAS No: 7455-18-7 Catalog No: AG005W6D MDL No:
Product Description
Catalog Number:
AG005W6D
Chemical Name:
2-Acetyl-10-(2-(dimethylammonio)propyl)-10H-phenothiazinium maleate
CAS Number:
7455-18-7
Molecular Formula:
C23H26N2O5S
Molecular Weight:
442.5279
IUPAC Name:
1-(2-acetyl-10H-phenothiazin-10-ium-10-yl)propan-2-yl-dimethylazanium;(Z)-but-2-enedioate
InChI:
InChI=1S/C19H22N2OS.C4H4O4/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21;5-3(6)1-2-4(7)8/h5-11,13H,12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
BACHEZCVYSHWLT-BTJKTKAUSA-N
SMILES:
CC([NH+](C)C)C[NH+]1c2cc(ccc2Sc2c1cccc2)C(=O)C.[O-]C(=O)/C=C\C(=O)[O-]
EC Number:
231-228-0
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
442.156g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
442.53g/mol
Monoisotopic Mass:
442.156g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| [Severe meprobamate poisoning: description of 146 cases in a French department]. | Therapie 20120101 |
| Risk of syncope in the elderly and consumption of drugs: a case-control study. | Journal of clinical epidemiology 19970301 |
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