Strychnine sulfateProduct ingredient for Strychnine
- Name
- Strychnine sulfate
- Drug Entry
- Strychnine
- Accession Number
- DBSALT003085
- Structure
Structure for Strychnine sulfate (DBSALT003085)
- Synonyms
- Strychnine hemisulfate salt / Strychnine sulphate
- External IDs
- 200-477-7
- UNII
- FA486DV76S
- CAS Number
- 60-41-3
- Weight
- Average: 766.91
Monoisotopic: 766.303635631 - Chemical Formula
- C42H46N4O8S
- InChI Key
- GOOCRIHPADOQAS-ZNUXJMJHSA-N
- InChI
- InChI=1S/2C21H22N2O2.H2O4S/c2*24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-5(2,3)4/h2*1-5,13,16-17,19-20H,6-11H2;(H2,1,2,3,4)/t2*13-,16-,17-,19-,20-,21+;/m00./s1
- IUPAC Name
- bis((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); sulfuric acid
- SMILES
- OS(O)(=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].[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
- 17215181
- ChEMBL
- CHEMBL2103753
- Wikipedia
- Strychnine
- Predicted Properties
Property Value Source Water Solubility 1.72 mg/mL ALOGPS logP 1.68 ALOGPS logP 0.93 Chemaxon logS -2.3 ALOGPS 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 14 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon