Galanthamine N-Oxide
PubChem CID: 11748698
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| Compound Synonyms | Galanthamine N-Oxide, Galantamine N-Oxide, 134332-50-6, 199014-26-1, UNII-S6AF61T5WO, S6AF61T5WO, (1S,12S,14R)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol, DTXSID40173681, GALANTAMINE METABOLITE M10, GALANTHAMINE (RS)-N-OXIDE, Galanthamine-N-oxide, (4AS-(4A.ALPHA.,6.BETA.,8AR*))-4A,5,9,10,11,12-HEXAHYDRO-3-METHOXY-11-METHYL-6H-BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL, N-OXIDE, 6H-BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL, 4A,5,9,10,11,12-HEXAHYDRO-3-METHOXY-11-METHYL-, 11-OXIDE, (4AS,6R,8AS)-, 6H-BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL, 4A,5,9,10,11,12-HEXAHYDRO-3-METHOXY-11-METHYL-, 11-OXIDE, (4AS-(4A.ALPHA.,6.BETA.,8AR*))-, (1S,12S,14R)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo(8.6.1.01,12.06,17)heptadeca-6(17),7,9,15-tetraen-14-ol, (4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol 11-oxide, SCHEMBL3299153, DTXCID2096172, LROQBKNDGTWXET-FVWDGWMTSA-N, AKOS030241457, FG23640, GALANTAMINE N-OXIDE [USP IMPURITY], DB-257732, Galanthamine 10-Oxide(Galanthamine N-Oxide), NS00116587, Q27288725, GALANTAMINE HYDROBROMIDE IMPURITY, 6.BETA.-HEXAHYDROGALANTAMINE-[USP IMPURITY], GALANTAMINE HYDROBROMIDE IMPURITY, 6BETA-HEXAHYDROGALANTAMINE-(USP IMPURITY), (4As,6r,8as)-3-methoxy-11-methyl-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol 11-oxide, (4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol 11-oxide, 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, 11-oxide, (4aS,6R,8aS)-, 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, 11-oxide, [4aS-(4aa,6ss,8aR*)]-, (4aS,6R,8aS,11R)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol 11-oxide, Nivalin-oxide, Gala nthamine 10-oxide, (4AS-(4AALPHA,6BETA,8AR*))-4A,5,9,10,11,12-HEXAHYDRO-3-METHOXY-11-METHYL-6H-BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL, N-OXIDE, 6H-BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL, 4A,5,9,10,11,12-HEXAHYDRO-3-METHOXY-11-METHYL-, 11-OXIDE, (4AS-(4AALPHA,6BETA,8AR*))- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 56.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC23CCCCC2CC2CCCC(C1)C23 |
| Np Classifier Class | Amarylidaceae alkaloids |
| Deep Smiles | COcccccc6O[C@@H][C@]5C=C[C@@H]C6)O))))CC[N+]C%10)[O-])C |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Amaryllidaceae alkaloids |
| Scaffold Graph Node Level | C1CC2CNCCC34CCCCC3OC(C1)C24 |
| Classyfire Subclass | Galanthamine-type amaryllidaceae alkaloids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 483.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,12S,14R)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H21NO4 |
| Scaffold Graph Node Bond Level | C1=CC23CC[NH2+]Cc4cccc(c42)OC3CC1 |
| Inchi Key | LROQBKNDGTWXET-FVWDGWMTSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | galanthamine n-oxide |
| Esol Class | Soluble |
| Functional Groups | CC=CC, CO, C[N+](C)(C)[O-], cOC |
| Compound Name | Galanthamine N-Oxide |
| Exact Mass | 303.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 303.147 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 303.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H21NO4/c1-18(20)8-7-17-6-5-12(19)9-14(17)22-16-13(21-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-,18?/m0/s1 |
| Smiles | C[N+]1(CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O)[O-] |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Lycoris Radiata (Plant) Rel Props:Reference:ISBN:9788185042145