Inamrinone Lactate
PubChem CID: 3035194
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| Compound Synonyms | Inamrinone lactate, Amrinone lactate, 75898-90-7, UNII-I229274Y5B, I229274Y5B, (3,4'-Bipyridin)-6(1H)-one, 5-amino-, 3-hydroxypropanoate, 3-amino-5-pyridin-4-yl-1H-pyridin-2-one, 2-hydroxypropanoic acid, 5-AMINO(3,4'-BIPYRIDIN)-6(1H)-ONE LACTATE, AMRINONE LACTATE (MART.), AMRINONE LACTATE [MART.], SCHEMBL739746, AMRINONE LACTATE [VANDF], CHEMBL2096642, AMRINONE LACTATE [WHO-DD], INAMRINONE LACTATE [VANDF], INAMRINONE LACTATE [ORANGE BOOK], Amrinone lactate, Inamrinone lactate, Inocor, Q27280272 |
|---|---|
| Topological Polar Surface Area | 126.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-amino-5-pyridin-4-yl-1H-pyridin-2-one, 2-hydroxypropanoic acid |
| Prediction Hob | 1.0 |
| Molecular Formula | C13H15N3O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DOSIONJFGDSKCQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -2.684 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.598 |
| Compound Name | Inamrinone Lactate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 277.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 277.106 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 277.28 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0223359999999997 |
| Inchi | InChI=1S/C10H9N3O.C3H6O3/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7, 1-2(4)3(5)6/h1-6H,11H2,(H,13,14), 2,4H,1H3,(H,5,6) |
| Smiles | CC(C(=O)O)O.C1=CN=CC=C1C2=CNC(=O)C(=C2)N |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients