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Metopirone tartrate,Metyrapone tartrate,Metopirone ditartrate,Metyrapo

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摘 要:Metopirone tartrate,Metyrapone tartrate,Metopirone ditartrate,Metyrapone ditartrate,Metyprapone bitartrate,Metyrapone tartrate [USAN],Su 4885,LS-123098,2-Methyl-1,2-dipyridyl-3'-1-oxopropane ditartrate,2-Methyl-1,2-di-3-pyridyl-1-propanone tartra
[Synonyms]
Metopirone tartrate
Metyrapone tartrate
Metopirone ditartrate
Metyrapone ditartrate
Metyprapone bitartrate
Metyrapone tartrate [USAN]
Su 4885
LS-123098
2-Methyl-1,2-dipyridyl-3'-1-oxopropane ditartrate
2-Methyl-1,2-di-3-pyridyl-1-propanone tartrate (1:2)

[Structure]
Metopirone tartrate,Metyrapone tartrate,Metopirone ditartrate,Metyrapo

[ Properties Computed from Structure]
Molecular Weight376.3606 [g/mol]
Molecular FormulaC18H20N2O7
H-Bond Donor4
H-Bond Acceptor9
Rotatable Bond Count6
Exact Mass376.127051
MonoIsotopic Mass376.127051
Topological Polar Surface Area158
Heavy Atom Count27
Formal Charge0
Complexity409
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: (3R)-2,3-dihydroxybutanedioic acid;
2-methyl-1,2-di(pyridin-3-yl)propan-1-one
Canonical SMILES: CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2.C(C(C(=O)O)O)(C(=O)O)O
Isomeric SMILES: CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2.C([C@H](C(=O)O)O)(C(=O)O)O
InChI: InChI=1/C14H14N2O.C4H6O6/c1-14(2,
12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11;5-1(3(7)8)2(6)4(9)10/h3-10H,
1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2?/m.1/s1/f/h;7,9H

 
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