Home Other Building Blocks Strychnidin-10-one, hydrochloride (1:1)

Strychnidin-10-one, hydrochloride (1:1)

CAS No.:
1421-86-9
Catalog Number:
AG001HSY
Molecular Formula:
C21H23ClN2O2
Molecular Weight:
370.8725
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Product Description
Catalog Number:
AG001HSY
Chemical Name:
Strychnidin-10-one, hydrochloride (1:1)
CAS Number:
1421-86-9
Molecular Formula:
C21H23ClN2O2
Molecular Weight:
370.8725
MDL Number:
MFCD00058174
IUPAC Name:
(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;hydrochloride
InChI:
InChI=1S/C21H22N2O2.ClH/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;/h1-5,13,16-17,19-20H,6-11H2;1H/t13-,16-,17-,19-,20-,21+;/m0./s1
InChI Key:
VLXYTKMPCOQKEM-ZEYGOCRCSA-N
SMILES:
O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2C2N1c1ccccc1[C@]12CCN([C@H]1C4)C3.Cl
EC Number:
215-826-9
UNII:
9651U398A9
Properties
Complexity:
689  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
370.145g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
370.877g/mol
Monoisotopic Mass:
370.145g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. Bioorganic & medicinal chemistry 20121115
Properties