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Substance Name: Dihematoporphyrin ether
RN: 97067-70-4
UNII: 625J2HS54G
InChIKey: VAYJWFGRGMQINH-STKOUIOXSA-N

Note

  • The purified component of HEMATOPORPHYRIN DERIVATIVE, it consists of a mixture of oligomeric porphyrins. It is used in photodynamic therapy (HEMATOPORPHYRIN PHOTORADIATION); to treat malignant lesions with visible light and experimentally as an antiviral agent. It is the first drug to be approved in the use of PHOTODYNAMIC THERAPY in the United States.

Molecular Formula

  • C68-H74-N8-O11

Molecular Weight

  • 1179.38
 

Classification Codes

  • Antineoplastic Agents
  • Dermatologic Agents
  • Photosensitizing Agents
  • Radiation-Sensitizing Agents
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Names and Synonyms

Name of Substance

  • Dihematoporphyrin ether

MeSH Heading

  • Dihematoporphyrin ether

Synonyms

  • Dhp ether
  • Dihematoporphyrin ether
  • Porfimer
  • UNII-625J2HS54G

Systematic Name

  • 21H,23H-Porphine-2,18-dipropanoic acid, 7-(1-(1-(8,12-bis(2-carboxyethyl)-17-(1-hydroxyethyl)-3,7,13,18-tetramethyl-21H,23H-porphin-2-yl)ethoxy)ethyl)-12-(1-hydroxyethyl)-3,8,13,17-tetramethyl-

Registry Numbers

CAS Registry Number

  • 97067-70-4

FDA UNII

  • 625J2HS54G

System Generated Number

  • 0097067704

Structure Descriptors

InChI

1S/C68H74N8O11/c1-29-41(13-17-61(79)80)53-28-56-44(16-20-64(85)86)32(4)48(72-56)24-59-68(36(8)52(76-59)25-58-65(37(9)77)33(5)49(73-58)21-45(29)69-53)40(12)87-39(11)67-35(7)50-22-46-30(2)42(14-18-62(81)82)54(70-46)27-55-43(15-19-63(83)84)31(3)47(71-55)23-57-66(38(10)78)34(6)51(74-57)26-60(67)75-50/h21-28,37-40,71-73,75,77-78H,13-20H2,1-12H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86)/b45-21-,46-22-,47-23-,48-24-,49-21-,50-22-,51-26-,52-25-,53-28-,54-27-,55-27-,56-28-,57-23-,58-25-,59-24-,60-26-

InChIKey

VAYJWFGRGMQINH-STKOUIOXSA-N

Smiles

c12C(=C(C)c(n1)cc1c(c(C)c([nH]1)cc1nc(cc3[nH]c(c2)c(c3CCC(O)=O)C)C(=C1C)CCC(O)=O)[C@@H](C)O)[C@@H](O[C@@H](c1c2[nH]c(c1C)cc1nc(cc3[nH]c(cc4nc(c2)C(=C4[C@@H](C)O)C)c(c3CCC(O)=O)C)C(=C1C)CCC(O)=O)C)C