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159912-53-5

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Basic Information
CAS No.: 159912-53-5
Name: SABCOMELINE
Article Data: 7
Molecular Structure:
Molecular Structure of 159912-53-5 (SABCOMELINE)
Formula: C10H15N3O
Molecular Weight: 193.249
Synonyms: 1-Azabicyclo[2.2.2]octane-3-acetonitrile,a-(methoxyimino)-, [R-(Z)]- (9CI);SB 202026;SKB 202026;Sabcomeline;
Density: 1.25 g/cm3
Melting Point: 154-156°
Boiling Point: 278 °C
Flash Point: 122 °C
PSA: 48.62000
LogP: 0.79208
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Specification

The CAS register number of Sabcomeline is 159912-53-5. It also can be called as [R-(Z)]-alpha-(Methoxyimino)-1-azabicyclo[2.2.2]octane-3-acetonitrile and the IUPAC name about this chemical is (3Z,3R)-N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl cyanide. The molecular formula about this chemical is C10H15N3O and molecular weight is 193.25. This chemical is a selective M1 receptor partial agonist that was under development for the treatment of Alzheimer's disease.

Physical properties about Sabcomeline are: (1)XLogP3-AA: 1; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 2; (4)Exact Mass: 193.121512; (5)MonoIsotopic Mass: 193.121512; (6)Topological Polar Surface Area: 48.6; (7)Heavy Atom Count: 14; (8)Complexity: 283; (9)Defined Atom StereoCenter Count: 1; (10)Defined Bond StereoCenter Count: 1; (11)Covalently-Bonded Unit Count: 1; (12)Feature 3D Acceptor Count: 2; (13)Feature 3D Cation Count: 1; (14)Feature 3D Ring Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CON=C(C#N)C1CN2CCC1CC2
(2)Isomeric SMILES: CO/N=C(\C#N)/[C@H]1CN2CCC1CC2
(3)InChI: InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
(4)InChIKey: IQWCBYSUUOFOMF-QTLFRQQHSA-N