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18051-16-6 | Ergoline-8-methanol, 6-methyl-, (8β)-
CAS No: 18051-16-6 Catalog No: AG00221R MDL No:
Product Description
Catalog Number:
AG00221R
Chemical Name:
Ergoline-8-methanol, 6-methyl-, (8β)-
CAS Number:
18051-16-6
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
IUPAC Name:
[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
InChI:
InChI=1S/C16H20N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-4,7,10,13,15,17,19H,5-6,8-9H2,1H3/t10-,13-,15-/m1/s1
InChI Key:
UFKTZIXVYHGAES-WDBKCZKBSA-N
SMILES:
OC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3
UNII:
I39LU14H83
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
256.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.349g/mol
Monoisotopic Mass:
256.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. | Bioorganic & medicinal chemistry 20121115 |
| 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 |
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