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5374-19-6 | 2H-Pyrazino[2,1-a]isoquinoline, 1,3,4,6,7,11b-hexahydro-, (S)- (dihydrochloride)
CAS No: 5374-19-6 Catalog No: AG00DBA5 MDL No:
Product Description
Catalog Number:
AG00DBA5
Chemical Name:
2H-Pyrazino[2,1-a]isoquinoline, 1,3,4,6,7,11b-hexahydro-, (S)- (dihydrochloride)
CAS Number:
5374-19-6
Molecular Formula:
C12H18Cl2N2
Molecular Weight:
261.1907
IUPAC Name:
(11bS)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
InChI:
InChI=1S/C12H16N2.2ClH/c1-2-4-11-10(3-1)5-7-14-8-6-13-9-12(11)14;;/h1-4,12-13H,5-9H2;2*1H/t12-;;/m1../s1
InChI Key:
WPASCARMJJLMHJ-CURYUGHLSA-N
SMILES:
N1CCN2[C@H](C1)c1ccccc1CC2.Cl.Cl
UNII:
4U054BN18E
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
261.19g/mol
Monoisotopic Mass:
260.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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