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Substance Name: O,O'-Diacetylhematoporphyrin
RN: 69423-76-3
UNII: TB1M7XU0G5
InChIKey: MLWIIVWLZZOCIY-ILFHFRMNSA-N

Molecular Weight

  • 682.77
 
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Names and Synonyms

Name of Substance

  • O,O'-Diacetylhematoporphyrin

Synonyms

  • DACHP
  • Hematoporphyrin-7,12-diacetate
  • UNII-TB1M7XU0G5

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 69423-76-3

FDA UNII

  • TB1M7XU0G5

System Generated Number

  • 0069423763

Structure Descriptors

InChI

1S/C38H42N4O8/c1-17-25(9-11-35(45)46)31-16-32-26(10-12-36(47)48)18(2)28(40-32)14-33-38(22(6)50-24(8)44)20(4)30(42-33)15-34-37(21(5)49-23(7)43)19(3)29(41-34)13-27(17)39-31/h13-16,21-22,40-41H,9-12H2,1-8H3,(H,45,46)(H,47,48)/b27-13-,28-14-,29-13-,30-15-,31-16-,32-16-,33-14-,34-15-

InChIKey

MLWIIVWLZZOCIY-ILFHFRMNSA-N

Smiles

c1(c(c2cc3C(=C(c(cc4c(c(c([nH]4)cc4nc(cc1[nH]2)C(CCC(O)=O)=C4C)C)[C@@H](OC(C)=O)C)n3)C)[C@@H](OC(C)=O)C)C)CCC(O)=O