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Ammothamnine(CAS No. 16837-52-8)

Ammothamnine C15H24N2O2 (cas 16837-52-8) Molecular Structure

16837-52-8 Structure

Identification and Related Records

【Name】
Ammothamnine
【CAS Registry number】
16837-52-8
【Synonyms】
Oxymoron
1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one,dodecahydro-, 4-oxide, (4R,7aS,13aR,13bR,13cS)-
Matridin-15-one,1-oxide, (1b)-
Matrine,1-oxide (8CI)
Matrine, N-oxide (6CI,7CI)
(+)-Matrine N-oxide
(+)-Oxymatrine
1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, dodecahydro-, 4-oxide, [4R-(4a,7ab,13aa,13bb,13cb)]-
Kingbo
Matrine 1b-oxide
Matrine N1-oxide
【Molecular Formula】
C15H24N2O2 (Products with the same molecular formula)
【Molecular Weight】
264.36
【Inchi】
InChI=1/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1
【Canonical SMILES】
C1CC2C3CCC[N+]4(C3C(CCC4)CN2C(=O)C1)[O-]
【Isomers smiles】
C1C[C@@H]2[C@H]3CCC[N+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-]
【MOL File】
16837-52-8.mol

Chemical and Physical Properties

【Density】
g/cm3
【Boiling Point】
°Cat760mmHg
【Vapour】
0mmHg at 25°C
【Refractive Index】
1.637
【Flash Point】
°C
【Solubilities】
Transport Information: OTH
Hazard Symbols:UN NO.
particular:particular
【Computed Properties】
Molecular Weight:264.36326 [g/mol]
Molecular Formula:C15H24N2O2
XLogP3-AA:1
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:264.183778
MonoIsotopic Mass:264.183778
Topological Polar Surface Area:38.4
Heavy Atom Count:19
Formal Charge:0
Complexity:400
Isotope Atom Count:0
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:4
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:11

Safety and Handling

【Hazard Codes】
UN NO.
【Transport】
OTH

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
- Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

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