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Home > Indoles and Oxindole > 80879-62-5
80879-62-5 | Bis(5-benzyl-2,3,4,5-tetrahydro-2-methyl-1H-pyrido(4,3-b)indole) sulphate
CAS No: 80879-62-5 Catalog No: AG0056YA MDL No:
Product Description
Catalog Number:
AG0056YA
Chemical Name:
Bis(5-benzyl-2,3,4,5-tetrahydro-2-methyl-1H-pyrido(4,3-b)indole) sulphate
CAS Number:
80879-62-5
Molecular Formula:
C38H42N4O4S
Molecular Weight:
650.8295
IUPAC Name:
5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;sulfuric acid
InChI:
InChI=1S/2C19H20N2.H2O4S/c2*1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15;1-5(2,3)4/h2*2-10H,11-14H2,1H3;(H2,1,2,3,4)
InChI Key:
ZHDZSLPFJHQROD-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1.CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1
EC Number:
279-612-7
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
650.293g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
650.838g/mol
Monoisotopic Mass:
650.293g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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