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13100-00-0

13100-00-0 | 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-methyl-

CAS No: 13100-00-0 Catalog No: AG000VAQ MDL No:MFCD00229120

Product Description

Catalog Number:
AG000VAQ
Chemical Name:
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-methyl-
CAS Number:
13100-00-0
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD00229120
IUPAC Name:
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
InChI:
InChI=1S/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H3
InChI Key:
JOFKCNJIUXPJAC-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C1)[nH]c1c2cccc1
NSC Number:
683435

Properties

Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

Title Journal
Halogenated solvent interactions with N,N-dimethyltryptamine: formation of quaternary ammonium salts and their artificially induced rearrangements during analysis. Forensic science international 20080704
N,N-Dimethyltryptamine and dichloromethane: rearrangement of quaternary ammonium salt product during GC-EI and CI-MS-MS analysis. Journal of pharmaceutical and biomedical analysis 20080512
N-methyltetrahydro-beta-carboline analogs of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) neurotoxin are oxidized to neurotoxic beta-carbolinium cations by heme peroxidases. Biochemical and biophysical research communications 20070427
Comparative aromatic hydroxylation and N-demethylation of MPTP neurotoxin and its analogs, N-methylated beta-carboline and isoquinoline alkaloids, by human cytochrome P450 2D6. Toxicology and applied pharmacology 20061101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Alkaloids and aromatics of Cyathobasis fruticulosa (Bunge) Aellen. Journal of natural products 20050601

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