O-Desmethyl Quinidine
PubChem CID: 51579
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| Compound Synonyms | Cupreine, O-Desmethylquinidine, O-Desmethyl Quinidine, cinchonan-6',9-diol, 524-63-0, (8alpha,9R)-Cinchonan-6',9-diol, (9S)-Cinchonan-6',9-diol, MFCD09842542, SCHEMBL15543585, SCHEMBL17335795, DTXSID00871737, SY224001, (8alpha,9R)-Cinchonan-6 inverted exclamation mark ,9-diol |
|---|---|
| Topological Polar Surface Area | 56.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 443.0 |
| Database Name | hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-ol |
| Nih Violation | False |
| Class | Cinchona alkaloids |
| Xlogp | 2.6 |
| Superclass | Alkaloids and derivatives |
| Is Pains | False |
| Molecular Formula | C19H22N2O2 |
| Inchi Key | VJFMSYZSFUWQPZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Compound Name | O-Desmethyl Quinidine |
| Kingdom | Organic compounds |
| Exact Mass | 310.168 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 310.168 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2 |
| Smiles | C=CC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cinchona alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Cinchona Ledgeriana (Plant) Rel Props:Source_db:npass_chem_all