Pavezan

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{{Drugbox | IUPAC_name =(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-3,4-dihydroxyoxane-2-carboxylic acid;1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline | PubChem = 83892 | DrugBank = | ChemSpiderID = | chemical_formula =C₆₃H₈₅NO₁₉ | molecular_weight = 1160.3443 | smiles = CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O[C@@H]5C[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(=O)O)C)C(=O)C=C6[C@]3(CC[C@@]7([C@H]6C[C@@](CC7)(C)C(=O)O)C)C)C)C.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC | synonyms = | density = | melting_point = | boiling_point = | solubility = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = }}

Description

General Properties

*Molecular Weight

1160.3443

*Molecular Formula

C₆₃H₈₅NO₁₉

*IUPAC NAME

(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-3,4-dihydroxyoxane-2-carboxylic acid;1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline

*Canonical Smiles

CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5CC(C(C(C5O)O)O)C(=O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC

*Isomeric Smiles

CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O[C@@H]5C[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(=O)O)C)C(=O)C=C6[C@]3(CC[C@@]7([C@H]6C[C@@](CC7)(C)C(=O)O)C)C)C)C.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC

*XLogP

N/A

*Topological Polar Surface Area

308

External Links

• Pubchem

Link to BIAdb Database