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Palladium(2+) (2S,3S,12R,13R)-17-acetyl-3-(2-carboxyethyl)-12-ethyl-5-(2-methoxy-2-oxoethyl)-2,8,13,18-tetramethyl-7-[(2-sulfoethyl)carbamoyl]-12,13-dihydro-2H,3H-porphine-22,24-diide | CAS No. 759457-82-4

Palladium(2+) (2S,3S,12R,13R)-17-acetyl-3-(2-carboxyethyl)-12-ethyl-5-(2-methoxy-2-oxoethyl)-2,8,13,18-tetramethyl-7-[(2-sulfoethyl)carbamoyl]-12,13-dihydro-2H,3H-porphine-22,24-diide

Basic Information

Chemical_Structure_Of
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CAS Number

759457-82-4

Molecular Formula

C37H43N5O9PdS

Molecular Weight

840.3 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Surfactants Anionic Surfactants
Polymers and Plastics Thermoplastics Polyolefins
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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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.[Pd+2]

InChI

InChI=1S/C37H45N5O9S.Pd/c1-8-22-17(2)25-16-30-33(21(6)43)19(4)27(40-30)14-26-18(3)23(9-10-31(44)45)35(41-26)24(13-32(46)51-7)36-34(37(47)38-11-12-52(48,49)50)20(5)28(42-36)15-29(22)39-25;/h14-18,22-23H,8-13H2,1-7H3,(H5,38,39,40,41,42,43,44,45,47,48,49,50);/q;+2/p-2/t17-,18+,22-,23+;/m1./s1

InChIKey

MZRDSGWDVDESRC-VNWQTDIGSA-L

LogP

1.59550

Complexity

2070

Synonyms & References

English

  • Stakel
  • WST-11
  • PADELIPORFIN [MI]
  • DB15575
  • 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-)-.KAPPA.N21,.KAPPA.N22,.KAPPA.N23,.KAPPA.N24)-, (SP-4-2)-
  • WST11 compound
  • 759457-82-4
  • (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-)
  • UNII-EEO29FZT86
  • PADELIPORFIN [WHO-DD]
  • WST 1
  • EEO29FZT86
  • DIHYDROGEN (3-((7S,8S,17R,18R)-13-ACETYL-18-ETHYL-5-(-2-METHOXY-2-OXOETHYL)-2,8,12,17-TETRAMETHYL-3-((2-SULFONATOETHYL)CARBAMOYL)-7,8,17,18-TETRAHYDROPORPHYRIN-7-YL)PROPANOATO)PALLADIUM
  • padeliporfin
  • WST11
  • Padeliporfin [INN]
  • Padeliporfin [USAN]
  • Padeliporfin
  • (SP-4-2)-[(7S,8S,17R,18R)-13-Acetyl-18-ethyl-5-(2-methoxy-2-oxoethyl)-2,8,12,17-tetramethyl-3-[[(2-sulfoethyl)amino]carbonyl]-21H,23H-porphine-7-propanoato(4-)-kN21,kN22,kN23,kN24]palladate(2-)
  • 3-[(2S,3S,12R,13R)-8-acetyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(2-sulfoethylcarbamoyl)-2,3,12,13-tetrahydroporphyrin-22,24-diid-2-yl]propanoic acid,palladium(2+)

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Supplier Information

Nanlian Chemical Industry

CAS Number: 759457-82-4

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Hubei Qingbei Yunchen Medicine Technology Co., Ltd.

CAS Number: 759457-82-4

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