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Substance Name: Chlorin E6 trisodium salt
RN: 72984-36-2
InChIKey: FSJIEYVXOYPQNU-BTFXJMARSA-N

Molecular Formula

  • C34-H36-N4-O6.3Na

Molecular Weight

  • 665.65
 
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Names and Synonyms

Results Name

  • Chlorin E6 trisodium salt

Synonyms

  • Copper-chlorin E6-trisodium salt
  • EINECS 277-169-4
  • Iron-chlorin E6-trisodium salt

Systematic Names

  • 21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, sodium salt (1:3), (7S,8S)-
  • 21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, trisodium salt, (7S,8S)-
  • Trisodium (2S-trans)-18-carboxylato-20-(carboxylatomethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionate

Registry Numbers

CAS Registry Number

  • 72984-36-2

Other Registry Numbers

  • 127253-19-4
  • 220256-05-3
  • 685111-15-3

System Generated Number

  • 0072984362

Molecular Formulas

Molecular Formula

  • C34-H36-N4-O6.3Na

Molecular Formula Fragments

  • C34-H36-N4-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H36N4O6.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;/h7,12-14,17,21,35,38H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44);;;/q;3*-1/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-,33-22-;;;/t17-,21-;;;/m0.../s1

InChIKey

FSJIEYVXOYPQNU-BTFXJMARSA-N

Smiles

C=1(c2cc3c(C=C)c(C)c([nH]3)cc3[C@H]([C@H](CCC(O)=O)c(c(c4[nH]c(cc(C1CC)n2)c(C)c4C(O)=O)CC(O)=O)n3)C)C.[Na-].[Na-].[Na-]