Deserpidine hydrochlorideProduct ingredient for Deserpidine
- Name
- Deserpidine hydrochloride
- Drug Entry
- Deserpidine
Deserpidine is an ester alkaloid drug isolated from Rauwolfia canescens (family Apocynaceae) with antipsychotic and antihypertensive properties that has been used for the control of high blood pressure and for the relief of psychotic behavior.
- Accession Number
- DBSALT002253
- Structure
Structure for Deserpidine hydrochloride (DBSALT002253)
- Synonyms
- Not Available
- UNII
- 6LPC48045D
- CAS Number
- 6033-69-8
- Weight
- Average: 615.12
Monoisotopic: 614.2394939 - Chemical Formula
- C32H39ClN2O8
- InChI Key
- YCNOGQOHKRDAHJ-UZXCFUCJSA-N
- InChI
- InChI=1S/C32H38N2O8.ClH/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5;/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3;1H/t18-,21+,23-,26-,27+,30+;/m1./s1
- IUPAC Name
- methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate hydrochloride
- SMILES
- Cl.CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)C1=CC(OC)=C(OC)C(OC)=C1
- External Links
- ChemSpider
- 32698082
- Predicted Properties
Property Value Source Water Solubility 0.0111 mg/mL ALOGPS logP 4.25 ALOGPS logP 3.69 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 16.37 Chemaxon pKa (Strongest Basic) 7.14 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 108.55 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 154.96 m3·mol-1 Chemaxon Polarizability 63.41 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon