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Substance Name: Hematoporphyrin diphenyl ether
RN: 119052-81-2
InChIKey: XYRLKLUDGTUQFR-AZPDBEIKSA-N

Note

  • Possesses high photosensitizing efficiency in human cancer cells.

Molecular Formula

  • C46-H46-N4-O6

Molecular Weight

  • 750.8914
 
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Names and Synonyms

Name of Substance

  • Hematoporphyrin diphenyl ether

Synonym

  • HP-Dpe

Systematic Name

  • 21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-8,13-bis(1-phenoxyethyl)-

Registry Numbers

CAS Registry Number

  • 119052-81-2

System Generated Number

  • 0119052812

Structure Descriptors

InChI

1S/C46H46N4O6/c1-25-33(17-19-43(51)52)39-24-40-34(18-20-44(53)54)26(2)36(48-40)22-41-46(30(6)56-32-15-11-8-12-16-32)28(4)38(50-41)23-42-45(27(3)37(49-42)21-35(25)47-39)29(5)55-31-13-9-7-10-14-31/h7-16,21-24,29-30,47,50H,17-20H2,1-6H3,(H,51,52)(H,53,54)/b35-21-,36-22-,37-21-,38-23-,39-24-,40-24-,41-22-,42-23-

InChIKey

XYRLKLUDGTUQFR-AZPDBEIKSA-N

Smiles

Cc1c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C(C)Oc6ccccc6)C)C(=C3C)C(C)Oc7ccccc7