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Home > Indoles and Oxindole > 1186653-04-2
1186653-04-2 | 2,3,4,5-Tetrahydro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrido[4,3-b]indole hydrochloride hydrate (1:2:2)
CAS No: 1186653-04-2 Catalog No: AG01DP0V MDL No:MFCD16621144
Product Description
Catalog Number:
AG01DP0V
Chemical Name:
2,3,4,5-Tetrahydro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrido[4,3-b]indole hydrochloride hydrate (1:2:2)
CAS Number:
1186653-04-2
MDL Number:
MFCD16621144
IUPAC Name:
2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrate;dihydrochloride
InChI:
InChI=1S/C21H25N3.2ClH.2H2O/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17;;;;/h4-7,12-13H,8-11,14H2,1-3H3;2*1H;2*1H2
InChI Key:
VXOPXOWEHMCQPP-UHFFFAOYSA-N
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.179g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
428.398g/mol
Monoisotopic Mass:
427.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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