(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one hydrochloride

Systemtic Name: (5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one hydrochloride Openeye Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one hydrochloride CAS Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one hydrochloride IUPAC Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one hydrochloride Traditional Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one hydrochloride Formula: C25H31ClN2O8 MolecularWeight: 522.97524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCNCCO.Cl

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCCNCCO.Cl

InChI

InChI=1S/C25H30N2O8.ClH/c1-31-19-7-13(8-20(32-2)24(19)29)21-14-9-17-18(35-12-34-17)10-15(14)23(27-4-3-26-5-6-28)16-11-33-25(30)22(16)21;/h7-10,16,21-23,26-29H,3-6,11-12H2,1-2H3;1H/t16-,21+,22-,23+;/m0./s1