Padeliporfin Potassium
dipotassium;3-[(2S,3S,8Z,12R,13R)-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-8-(1-oxidoethylidene)-18-[C-oxido-N-(2-sulfonatoethyl)carbonimidoyl]-3,12,13,23-tetrahydro-2H-porphyrin-2-yl]propanoate;palladium(2+)
Molecular Identity
Padeliporfin Potassium
dipotassium;3-[(2S,3S,8Z,12R,13R)-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-8-(1-oxidoethylidene)-18-[C-oxido-N-(2-sulfonatoethyl)carbonimidoyl]-3,12,13,23-tetrahydro-2H-porphyrin-2-yl]propanoate;palladium(2+)
PubChem CID: 135391044
2D Structure
Properties
C37H41K2N5O9PdS
Molecular Formula
916.40
Molecular Weight
g/mol
915.0934
Exact Mass
Da
240
TPSA
May have limited oral absorption
1
H-Bond Donors
14
H-Bond Acceptors
2050
Complexity
SMILES
Canonical SMILES
SMILES: CCC1C(C2=CC3=NC(=C(C3=C(C)[O-])C)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=NCCS(=O)(=O)[O-])[O-])CC(=O)OC)CCC(=O)[O-])C)C.[K+].[K+].[Pd+2]Isomeric SMILES
SMILES: CC[C@@H]1[C@H](C2=CC\3=NC(=C(/C3=C(\C)/[O-])C)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=NCCS(=O)(=O)[O-])[O-])CC(=O)OC)CCC(=O)[O-])C)C.[K+].[K+].[Pd+2]Synonyms(20)
WST11 dipotassiumStakelPadeliporfin potassiumWST-11 dipotassiumPadeliporfin dipotassiumPadeliporfin (potassium)JQ72VD4XULPadeliporfin potassium [USAN]PADELIPORFIN DI-POTASSIUM [MI]PADELIPORFIN DIPOTASSIUM [WHO-DD]698393-30-5DTXSID20997307PALLADATE(2-), ((7S,8S,17R,18R)-13-ACETYL-18-ETHYL-7,8-DIHYDRO-5-(2-METHOXY-2-OXOETHYL)-2,8,12,17-TETRAMETHYL-3-(((2-SULFOETHYL)AMINO)CARBONYL)-21H,23H-PORPHINE-7-PROPANOATO(4-)-.KAPPA.N21,.KAPPA.N22,.KAPPA.N23,.KAPPA.N24)-, POTASSIUM (1:2), (SP-4-2)-Palladate(2-), ((7S,8S,17R,18R)-13-acetyl-18-ethyl-7,8-dihydro-5-(2-methoxy-2-oxoethyl)-2,8,12,17-tetramethyl-3-(((2-sulfoethyl)amino)carbonyl)-21H,23H-porphine-7-propanoato(4-)-kappaN21,kappaN22,kappaN23,kappaN24)-, potassium (1:2), (sp-4-2)-POTASSIUM (SP-4-2)-((7S,8S,17R,18R)-13-ACETYL-18-ETHYL-7,8-DIHYDRO-5-(2-METHOXY-2-OXOETHYL)-2,8,12,17-TETRAMETHYL-3-((2-SULFOETHYL)CARBAMOYL)-21H,23H-PORPHINE-7-PROPANOATO(4-)-KAPPAN21,KAPPAN22,KAPPAN23,KAPPAN24)-PALLADATE(2-) (2:1)
Data from PubChem (NCBI)
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