Strychnine nitrateProduct ingredient for Strychnine
- Name
- Strychnine nitrate
- Drug Entry
- Strychnine
- Accession Number
- DBSALT003146
- Structure
Structure for Strychnine nitrate (DBSALT003146)
- Synonyms
- Strychninum nitricum
- External IDs
- 200-627-1
- UNII
- O642E96711
- CAS Number
- 66-32-0
- Weight
- Average: 397.431
Monoisotopic: 397.163770853 - Chemical Formula
- C21H23N3O5
- InChI Key
- PCGVPMHGSJFFTI-ZEYGOCRCSA-N
- InChI
- InChI=1S/C21H22N2O2.HNO3/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;2-1(3)4/h1-5,13,16-17,19-20H,6-11H2;(H,2,3,4)/t13-,16-,17-,19-,20-,21+;/m0./s1
- IUPAC Name
- (1R,11S,18S,20R,21R,22S)-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2,4,6,14-tetraen-9-one; nitric acid
- SMILES
- O[N+]([O-])=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=CC=CC=C7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H]
- External Links
- ChemSpider
- 19952491
- ChEMBL
- CHEMBL612118
- Predicted Properties
Property Value Source logP 0.93 Chemaxon pKa (Strongest Acidic) 17.24 Chemaxon pKa (Strongest Basic) 9.27 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 32.78 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 94.51 m3·mol-1 Chemaxon Polarizability 35.89 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon