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Substance Name: Benzoporphyrin D
RN: 113719-89-4
InChIKey: VODLFEADYRDTAR-CLMRPBTGSA-N

Classification Codes

  • Dermatologic Agents
  • Photosensitizing Agents
  • Radiation-Sensitizing Agents

Molecular Formula

  • C42-H44-N4-O8

Molecular Weight

  • 732.83
 
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Names and Synonyms

Name of Substance

  • Benzoporphyrin D

Synonyms

  • 1,2-Bis(ethoxycarbonyl)-19-ethenyl-1,22a-dihydro-8,14,18,22a-tetramethyl-23H,25H-benzo(b)porphine-9,13-dipropanoic acid
  • Benzoporphyrin derivative monoacid ring A
  • Bpd-MA

Systematic Name

  • 23H,25H-Benzo(b)porphine-9,13-dipropanoic acid, 1,2-bis(ethoxycarbonyl)-19-ethenyl-1,22a-dihydro-8,14,18,22a-tetramethyl-

Registry Numbers

CAS Registry Number

  • 113719-89-4

System Generated Number

  • 0113719894

Structure Descriptors

InChI

1S/C42H44N4O8/c1-8-24-21(4)29-17-30-22(5)25(12-15-37(47)48)32(43-30)19-33-26(13-16-38(49)50)23(6)31(44-33)18-35-28-14-11-27(40(51)53-9-2)39(41(52)54-10-3)42(28,7)36(46-35)20-34(24)45-29/h8,11,14,17-20,39,43,46H,1,9-10,12-13,15-16H2,2-7H3,(H,47,48)(H,49,50)/b29-17-,33-19-,35-18-,36-20-

InChIKey

VODLFEADYRDTAR-CLMRPBTGSA-N

Smiles

c12cc3[nH]c(cc4C(=C(c(n4)cc4[nH]c(C=5[C@@]4([C@@H](C(=CC5)C(OCC)=O)C(=O)OCC)C)cc(n2)C(C)=C1CCC(=O)O)C=C)C)c(c3CCC(O)=O)C