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102395-78-8 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:2)
CAS No: 102395-78-8 Catalog No: AG0007CG MDL No:
Product Description
Catalog Number:
AG0007CG
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:2)
CAS Number:
102395-78-8
Molecular Formula:
C18H30Cl2N2O2
Molecular Weight:
377.3490
IUPAC Name:
6,7-dimethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline;dichloride
InChI:
InChI=1S/C18H28N2O2.2ClH/c1-21-17-12-15-6-9-20(14-16(15)13-18(17)22-2)11-10-19-7-4-3-5-8-19;;/h12-13H,3-11,14H2,1-2H3;2*1H/p-2
InChI Key:
CBHBXXOIGADZBY-UHFFFAOYSA-L
SMILES:
COc1cc2CN(CCN3CCCCC3)CCc2cc1OC.Cl.Cl
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.153g/mol
Formal Charge:
-2
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.334g/mol
Monoisotopic Mass:
374.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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