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26438-73-3 | 5H-Dibenz[b,f]azepine, 5-[3-(4-methoxy-4-phenyl-1-piperidinyl)propyl]-, hydrochloride (1:1)
CAS No: 26438-73-3 Catalog No: AG002T79 MDL No:
Product Description
Catalog Number:
AG002T79
Chemical Name:
5H-Dibenz[b,f]azepine, 5-[3-(4-methoxy-4-phenyl-1-piperidinyl)propyl]-, hydrochloride (1:1)
CAS Number:
26438-73-3
Molecular Formula:
C29H33ClN2O
Molecular Weight:
461.0381
IUPAC Name:
11-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]benzo[b][1]benzazepine;hydrochloride
InChI:
InChI=1S/C29H32N2O.ClH/c1-32-29(26-12-3-2-4-13-26)18-22-30(23-19-29)20-9-21-31-27-14-7-5-10-24(27)16-17-25-11-6-8-15-28(25)31;/h2-8,10-17H,9,18-23H2,1H3;1H
InChI Key:
LNEOCDYCSRRSPW-UHFFFAOYSA-N
SMILES:
COC1(CCN(CC1)CCCN1c2ccccc2C=Cc2c1cccc2)c1ccccc1.Cl
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.228g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
461.046g/mol
Monoisotopic Mass:
460.228g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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