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Substance Name: Fimaporfin [INN]
RN: 1443547-43-0
UNII: 3UVT27C76J
InChIKey: AINQERPKMNDVQT-KHRRKNAZSA-N

Molecular Formula

  • C44-H32-N4-O6-S2

Molecular Weight

  • 2330.6724
 
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Names and Synonyms

Name of Substance

  • Fimaporfin [INN]

Synonyms

  • 4,4'-(15,20-Diphenyl-7,8(or 12,13 or 17,18)-dihydro-21H,23H-porphine-5,10-diyl)bisbenzenesulfonic acid, mixture of three isomers A, B and C (25%,50%,25%)
  • Fimaporfin
  • UNII-3UVT27C76J

Registry Numbers

CAS Registry Number

  • 1443547-43-0

FDA UNII

  • 3UVT27C76J

System Generated Number

  • 1443547430

Structure Descriptors

InChI

1S/3C44H32N4O6S2/c3*49-55(50,51)31-15-11-29(12-16-31)43-37-23-21-35(46-37)41(27-7-3-1-4-8-27)33-19-20-34(45-33)42(28-9-5-2-6-10-28)36-22-24-38(47-36)44(40-26-25-39(43)48-40)30-13-17-32(18-14-30)56(52,53)54/h1-18,21-26,46-47H,19-20H2,(H,49,50,51)(H,52,53,54);1-21,23,25-26,46-47H,22,24H2,(H,49,50,51)(H,52,53,54);1-24,46-47H,25-26H2,(H,49,50,51)(H,52,53,54)/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,44-40-;41-33-,42-36-,43-39-,44-38-;41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,44-40-

InChIKey

AINQERPKMNDVQT-KHRRKNAZSA-N

Smiles

OS(=O)(=O)c1ccc(cc1)c2c3CCc(n3)c(c4ccc(cc4)S(=O)(=O)O)c5ccc([nH]5)c(c6ccccc6)c7ccc(n7)c(c8C=Cc2[nH]8)c9ccccc9.OS(=O)(=O)c%10ccc(cc%10)c%11c%12CCc([nH]%12)c(c%13ccccc%13)c%14ccc(n%14)c(c%15ccccc%15)c%16ccc([nH]%16)c(c%17ccc(cc%17)S(=O)(=O)O)c%18ccc%11n%18.OS(=O)(=O)c%19ccc(cc%19)c%20c%21C=Cc([nH]%21)c(c%22CCc(n%22)c(c%23ccccc%23)c%24ccc([nH]%24)c(c%25ccc(cc%25)S(=O)(=O)O)c%26ccc%20n%26)c%27ccccc%27