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126671-71-4 | 4H-Carbazol-4-one, 1,2,3,9-tetrahydro-8-hydroxy-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-
CAS No: 126671-71-4 Catalog No: AG000T37 MDL No:
Product Description
Catalog Number:
AG000T37
Chemical Name:
4H-Carbazol-4-one, 1,2,3,9-tetrahydro-8-hydroxy-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-
CAS Number:
126671-71-4
Molecular Formula:
C18H19N3O2
Molecular Weight:
309.3624
IUPAC Name:
8-hydroxy-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
InChI:
InChI=1S/C18H19N3O2/c1-11-19-8-9-21(11)10-12-6-7-14-16(18(12)23)13-4-3-5-15(22)17(13)20(14)2/h3-5,8-9,12,22H,6-7,10H2,1-2H3
InChI Key:
XVDKMEPUFIAQFH-UHFFFAOYSA-N
SMILES:
O=C1C(CCc2c1c1cccc(c1n2C)O)Cn1ccnc1C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.369g/mol
Monoisotopic Mass:
309.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Enantioselective determination of ondansetron and 8-hydroxyondansetron in human plasma from recovered surgery patients by liquid chromatography-tandem mass spectrometry. | Journal of analytical toxicology 20101101 |
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