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26369-03-9 | Ethanone, 1-[1-[3-(5H-dibenz[b,f]azepin-5-yl)propyl]-4-phenyl-4-piperidinyl]-, hydrochloride (1:1)
CAS No: 26369-03-9 Catalog No: AG002SWK MDL No:
Product Description
Catalog Number:
AG002SWK
Chemical Name:
Ethanone, 1-[1-[3-(5H-dibenz[b,f]azepin-5-yl)propyl]-4-phenyl-4-piperidinyl]-, hydrochloride (1:1)
CAS Number:
26369-03-9
Molecular Formula:
C30H33ClN2O
Molecular Weight:
473.0488
IUPAC Name:
1-[1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-phenylpiperidin-4-yl]ethanone;hydrochloride
InChI:
InChI=1S/C30H32N2O.ClH/c1-24(33)30(27-12-3-2-4-13-27)18-22-31(23-19-30)20-9-21-32-28-14-7-5-10-25(28)16-17-26-11-6-8-15-29(26)32;/h2-8,10-17H,9,18-23H2,1H3;1H
InChI Key:
KHAFYVOHTNINJP-UHFFFAOYSA-N
SMILES:
CC(=O)C1(CCN(CC1)CCCN1c2ccccc2C=Cc2c1cccc2)c1ccccc1.Cl
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.228g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
473.057g/mol
Monoisotopic Mass:
472.228g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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