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100041-05-2 | 9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-[5-(hydroxymethyl)-2-furanyl]-
CAS No: 100041-05-2 Catalog No: AG0000MV MDL No:
Product Description
Catalog Number:
AG0000MV
Chemical Name:
9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-[5-(hydroxymethyl)-2-furanyl]-
CAS Number:
100041-05-2
Molecular Formula:
C17H12N2O4
Molecular Weight:
308.2882
IUPAC Name:
1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
InChI:
InChI=1S/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22)
InChI Key:
USBWYUYKHHILLZ-UHFFFAOYSA-N
SMILES:
OCc1ccc(o1)c1nc(cc2c1[nH]c1c2cccc1)C(=O)O
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.08g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.293g/mol
Monoisotopic Mass:
308.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Anti-inflammatory principles from Cordyceps sinensis. | Journal of natural products 20110923 |
| [Studies on chemical constituents from roots of Mirabilis jalapa]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20080101 |
| Flazinamide, a novel beta-carboline compound with anti-HIV actions. | Biochemical and biophysical research communications 20070420 |
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