Metoserpate hydrochlorideProduct ingredient for Metoserpate
- Name
- Metoserpate hydrochloride
- Drug Entry
- Metoserpate
- Accession Number
- DBSALT001693
- Structure
Structure for Metoserpate hydrochloride (DBSALT001693)
- Synonyms
- Metoserpate HCl / Metoserpate hydrochloride
- UNII
- KBO7409339
- CAS Number
- 1178-29-6
- Weight
- Average: 464.99
Monoisotopic: 464.2077999 - Chemical Formula
- C24H33ClN2O5
- InChI Key
- RVUCXCLULXWKIQ-PKNINNMNSA-N
- InChI
- InChI=1S/C24H32N2O5.ClH/c1-28-14-5-6-15-16-7-8-26-12-13-9-20(29-2)23(30-3)21(24(27)31-4)17(13)11-19(26)22(16)25-18(15)10-14;/h5-6,10,13,17,19-21,23,25H,7-9,11-12H2,1-4H3;1H/t13-,17+,19-,20+,21+,23+;/m1./s1
- IUPAC Name
- methyl (1R,15S,17S,18R,19S,20S)-6,17,18-trimethoxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate hydrochloride
- SMILES
- Cl.[H][C@]12C[C@H](OC)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2
- External Links
- ChemSpider
- 59635
- ChEMBL
- CHEMBL2106943
- Predicted Properties
Property Value Source Water Solubility 0.155 mg/mL ALOGPS logP 2.81 ALOGPS logP 2.15 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 16.29 Chemaxon pKa (Strongest Basic) 6.99 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 73.02 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 116.96 m3·mol-1 Chemaxon Polarizability 48.29 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon