Omacetaxine Mepesuccinate
PubChem CID: 285033
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| Compound Synonyms | homoharringtonine, Omacetaxine mepesuccinate, 26833-87-4, Myelostat, Ceflatonin, Synribo, CGX-635, Omapro, Homoharringtonin, (-)-homoharringtonine, NSC-141633, NSC 141633, CHEBI:71019, mepesuccinate d'omacetaxine, mepesuccinato de omacetaxina, UNII-6FG8041S5B, (2'R,3S,4S,5R)-(-)-homoharringtonine, omacetaxini mepesuccinas, 6FG8041S5B, HHT, BRN 5687925, Omacetaxine (homoharringtonine), 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate, Omacetaxine mepesuccinate [USAN], Cephalotaxine 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate, Cephalotaxine 4-Methyl (2R)-2-Hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (Ester), Omacetaxine mepesuccinate (USAN), Tekinex, Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), Cephalotaxine, 4-methyl-, 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), OMACETAXINE MEPESUCCINATE (MART.), OMACETAXINE MEPESUCCINATE [MART.], Synribo (TN), C29H39NO9, Omacetaxine mepesuccinate, HHT, DTXCID8025678, NSC141633, NCGC00025155-01, 1-((1S,3AR,14BS)-2-METHOXY-1,5,6,8,9,14B-HEXAHYDRO-4H-CYCLOPENTA(A)(1,3)DIOXOLO(4,5-H)PYRROLO(2,1-B)(3)BENZAZEPIN-1-YL) 4-METHYL (2R)-2-HYDROXY-2-(4-HYDROXY-4-METHYLPENTYL)BUTANEDIOATE, 1-[(1S,3aR,14bS)-2-Methoxy-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[a][1,3]dioxolo[4,5-H]pyrrolo[2,1-b][3]benzazepin-1-yl] 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate, MFCD05618221, Omacetaxine mepesuccinate [USAN:INN], ZJ-C, Homoharringtonine (Standard), MLS001424293, CHEMBL46286, HOMOHARRINGTONINE [MI], CGX-635-14 (formulation), GTPL7454, SCHEMBL12745687, L01XX40, GLXC-04527, HMS3267H22, HMS3414N05, HMS3678N03, Homoharringtonine, >=98% (HPLC), BDBM50480293, HB4660, HY-14944R, NSC758253, s9015, Homoharringtonine - Bio-X trade mark, AKOS024456585, CCG-269981, DB04865, FH15974, NC00395, NSC-758253, OMACETAXINE MEPESUCCINATE [INN], Cephalotaxine, O3-((2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methyl-1-oxoheptyl)-, NCGC00025155-02, NCGC00025155-03, NCGC00025155-04, NCGC00025155-07, OMACETAXINE MEPESUCCINATE [VANDF], BH300085, HY-14944, NCI60_000917, OMACETAXINE MEPESUCCINATE [WHO-DD], SMR000469230, H1775, NS00067000, D08956, OMACETAXINE MEPESUCCINATE [ORANGE BOOK], AB00642561-02, EN300-22161068, SR-01000597562, Q7089373, SR-01000597562-1, BRD-K76674262-001-01-7, BRD-K76674262-001-02-5, BRD-K76674262-001-03-3, Cephalotaxine, 3-[4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate], (2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0^{2,6}.0^{6,10}.0^{15,19}]icosa-1(13),4,14,19-tetraen-3-yl 1-methyl (3R)-3-hydroxy-3-(4-hydroxy-4-methylpentyl)butanedioate, (S)-1-((11bS,12S,14aR)-13-methoxy-2,3,5,6,11b,12-hexahydro-1H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]azepin-12-yl) 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)succinate, 1-((1S,3aR,14bS)-2-Methoxy-1,5,6,8,9,14b-hexahydro-4H- cyclopenta(a)(1,3)dioxolo(4,5-h)pyrrolo(2,1-b)(3)benzazepin-1-yl) 4-methyl (2R)-2- hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CC2CC3CCC4CCCC45CCCC5C3CC2C1 |
| Np Classifier Class | Cephalotaxus alkaloids |
| Deep Smiles | COC=O)C[C@@]C=O)O[C@@H]C=C[C@@][C@@H]5cccOCOc5cc9CCN%14CCC%17))))))))))))))))))OC))))))CCCCO)C)C)))))O |
| Heavy Atom Count | 39.0 |
| Classyfire Class | Cephalotaxus alkaloids |
| Scaffold Graph Node Level | C1CC2C3CC4OCOC4CC3CCN3CCCC23C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 968.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | Q72547, n.a., P0DTD1 |
| Iupac Name | 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate |
| Veber Rule | False |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 0.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C29H39NO9 |
| Scaffold Graph Node Bond Level | C1=CC23CCCN2CCc2cc4c(cc2C3C1)OCO4 |
| Inchi Key | HYFHYPWGAURHIV-JFIAXGOJSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | homoharringtonine |
| Esol Class | Soluble |
| Functional Groups | CN(C)C, CO, COC(C)=CC, COC(C)=O, c1cOCO1 |
| Compound Name | Omacetaxine Mepesuccinate |
| Exact Mass | 545.262 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 545.262 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 545.6 |
| 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/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1 |
| Smiles | CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
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