Chlorin e6 trisodium salt

CAS Registry Number®

72984-36-2
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CAS Name

Chlorin e6 trisodium salt

Molecular Formula

C34H36N4O6.3Na

Cite this Page

Chlorin e6 trisodium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72984-36-2 (retrieved 2024-09-19) (CAS RN: 72984-36-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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);;;/b23-12?,24-13-,25-12-,26-14-,27-13?,28-14?,32-22?,33-22-;;;/t17-,21-;;;/m0.../s1

InChIKey

InChIKey=PKEFOYHSTOCQMZ-FBEMSBPPSA-N

SMILES

C(C(O)=O)C1=C2[C@@H](CCC(O)=O)[C@H](C)C(=N2)C=C3NC(C(C=C)=C3C)=CC4=NC(=CC=5NC1=C(C(O)=O)C5C)C(CC)=C4C.[Na]

Canonical SMILES

[Na].O=C(O)C=1C=2NC(=CC3=NC(=CC=4NC(C=C5N=C(C2CC(=O)O)C(CCC(=O)O)C5C)=C(C4C=C)C)C(=C3CC)C)C1C

Other Names for this Substance

  • 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)-
  • Chlorin e6 trisodium salt
  • Fotoran E6
  • Photran E6

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Deleted or Replaced CAS Registry Numbers

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