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19686-05-6

19686-05-6 | 2,8-Dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

CAS No: 19686-05-6 Catalog No: AG007R3H MDL No:MFCD00452533

Product Description

Catalog Number:
AG007R3H
Chemical Name:
2,8-Dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CAS Number:
19686-05-6
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
MDL Number:
MFCD00452533
IUPAC Name:
2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
InChI:
InChI=1S/C13H16N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,14H,5-6,8H2,1-2H3
InChI Key:
MUZFLDUALLSEBH-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C1)c1cc(C)ccc1[nH]2

Properties

Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

Title Journal
Carboxymethylated pyridoindole antioxidants as aldose reductase inhibitors: Synthesis, activity, partitioning, and molecular modeling. Bioorganic & medicinal chemistry 20080501

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