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Home > Indoles and Oxindole > 25390-44-7
25390-44-7 | 1H-Pyrido[4,3-b]indole,2,3,4,5-tetrahydro-5-[2-(6-methyl-3-pyridinyl)ethyl]-2-phenyl-, hydrochloride(1:?)
CAS No: 25390-44-7 Catalog No: AG007NBI MDL No:
Product Description
Catalog Number:
AG007NBI
Chemical Name:
1H-Pyrido[4,3-b]indole,2,3,4,5-tetrahydro-5-[2-(6-methyl-3-pyridinyl)ethyl]-2-phenyl-, hydrochloride(1:?)
CAS Number:
25390-44-7
Molecular Formula:
C25H26ClN3
Molecular Weight:
403.9470
IUPAC Name:
5-[2-(6-methylpyridin-3-yl)ethyl]-2-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
InChI:
InChI=1S/C25H25N3.ClH/c1-19-11-12-20(17-26-19)13-16-28-24-10-6-5-9-22(24)23-18-27(15-14-25(23)28)21-7-3-2-4-8-21;/h2-12,17H,13-16,18H2,1H3;1H
InChI Key:
SFDWPSBHKVANLX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cn1)CCn1c2ccccc2c2c1CCN(C2)c1ccccc1.Cl
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.182g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
403.954g/mol
Monoisotopic Mass:
403.182g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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