Echinopsine hydrochloride
PubChem CID: 24189640
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| Compound Synonyms | Echinopsine hydrochloride, 5800-99-7, Echinopsine hydrochloride [MI], 4(1H)-Quinolinone, 1-methyl-, hydrochloride (1:1), UNII-2607LC44K4, 4(1H)-Quinolone, 1-methyl-, hydrochloride, 4(1H)-Quinolinone, 1-methyl-, hydrochloride, NSC-94251, 2607LC44K4, 1-methylquinolin-4-one, hydrochloride, NSC 94251, 1-Methylquinolin-4(1H)-one hydrochloride, NSC94251, starbld0005434, 1-methyl-1,4-dihydroquinolin-4-one hydrochloride, 4(1H)-Quinolone, hydrochloride, DTXSID50973573, 4(1H)-Quinolinone, hydrochloride, Q27254024, 1-Methylquinolin-4(1H)-one--hydrogen chloride (1/1) |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methylquinolin-4-one, hydrochloride |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Is Pains | False |
| Molecular Formula | C10H10ClNO |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZIUCKKCTYDTZBC-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Echinopsine hydrochloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 195.045 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 195.045 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 195.64 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.902854569230769 |
| Inchi | InChI=1S/C10H9NO.ClH/c1-11-7-6-10(12)8-4-2-3-5-9(8)11, /h2-7H,1H3, 1H |
| Smiles | CN1C=CC(=O)C2=CC=CC=C21.Cl |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Echinops Ritro (Plant) Rel Props:Source_db:cmaup_ingredients