Anisodamine HydrochlorideProduct ingredient for Anisodamine
- Name
- Anisodamine Hydrochloride
- Drug Entry
- Anisodamine
Anisodamine has been investigated for the treatment of Intestinal Diseases.
- Accession Number
- DBSALT002073
- Structure
Structure for Anisodamine Hydrochloride (DBSALT002073)
- Synonyms
- Not Available
- UNII
- 13NCM8S773
- CAS Number
- 131674-05-0
- Weight
- Average: 341.83
Monoisotopic: 341.139386 - Chemical Formula
- C17H24ClNO4
- InChI Key
- TXJYFXBXRUTHSF-YXGOVGSCSA-N
- InChI
- InChI=1S/C17H23NO4.ClH/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11;/h2-6,12-16,19-20H,7-10H2,1H3;1H/t12-,13-,14+,15+,16-;/m0./s1
- IUPAC Name
- (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate hydrochloride
- SMILES
- Cl.CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1
- External Links
- ChemSpider
- 28943187
- Predicted Properties
Property Value Source Water Solubility 17.4 mg/mL ALOGPS logP 0.82 ALOGPS logP 0.42 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) 14.44 Chemaxon pKa (Strongest Basic) 8.84 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 70 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 82.13 m3·mol-1 Chemaxon Polarizability 32.22 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon