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469-22-7 | pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-
CAS No: 469-22-7 Catalog No: AG0071QN MDL No:
Product Description
Catalog Number:
AG0071QN
Chemical Name:
pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-
CAS Number:
469-22-7
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol
InChI:
InChI=1S/C13H18N2O/c1-13-6-7-14(2)12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12-,13+/m1/s1
InChI Key:
HKGWQUVGHPDEBZ-OLZOCXBDSA-N
SMILES:
CN1CCC2(C1N(C)c1c2cc(cc1)O)C
UNII:
Q22H41O18D
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Analgesic and antineuropathic drugs acting through central cholinergic mechanisms. | Recent patents on CNS drug discovery 20110501 |
| Molecular docking study on the 'back door' hypothesis for product clearance in acetylcholinesterase. | Journal of molecular modeling 20060201 |
| Simple liquid chromatographic method for the determination of physostigmine and its metabolite eseroline in rat plasma: application to a pharmacokinetic study. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030205 |
| Transient kinetic approach to the study of acetylcholinesterase reversible inhibition by eseroline. | Journal of enzyme inhibition and medicinal chemistry 20021001 |
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