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145841-19-6 | Bicyclo[4.1.0]heptan-3-one, 4,7,7-trimethyl-, O-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propyl]oxime, (1R,3E,4R,6S)-
CAS No: 145841-19-6 Catalog No: AG001DGI MDL No:
Product Description
Catalog Number:
AG001DGI
Chemical Name:
Bicyclo[4.1.0]heptan-3-one, 4,7,7-trimethyl-, O-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propyl]oxime, (1R,3E,4R,6S)-
CAS Number:
145841-19-6
Molecular Formula:
C16H30N2O2
Molecular Weight:
282.4216
IUPAC Name:
1-(propan-2-ylamino)-3-[(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene)amino]oxypropan-2-ol
InChI:
InChI=1S/C16H30N2O2/c1-10(2)17-8-12(19)9-20-18-15-7-14-13(6-11(15)3)16(14,4)5/h10-14,17,19H,6-9H2,1-5H3
InChI Key:
GHSWZIUBMCEJFV-UHFFFAOYSA-N
SMILES:
O[C@@H](CO/N=C/1\C[C@@H]2[C@H](C[C@H]1C)C2(C)C)CNC(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.231g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.428g/mol
Monoisotopic Mass:
282.231g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Evaluation of the irritating influence of carane derivatives and their antioxidant properties in a deoxyribose degradation test. | Pharmacological reports : PR 20110101 |
| Strong antioxidant activity of carane derivatives. | Pharmacological reports : PR 20100101 |
| Antihistaminic activity of carane derivatives in isolated guinea pig ileum. | Pharmacological reports : PR 20090101 |
| Analgesic and anti-inflammatory activity of stereoisomers of carane derivatives in rodent test. | Pharmacological reports : PR 20050101 |
| Carane derivative stereoisomers of different local anaesthetic and antiplatelet activity similarly potentiate forskolin-stimulated cyclic AMP response and bind to beta-adrenoceptors in the rat brain cortex. | The Journal of pharmacy and pharmacology 20041101 |
| Effects of a carane derivative local anesthetic on a phospholipid bilayer studied by molecular dynamics simulation. | Biophysical journal 20030801 |
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