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Substance Name: 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a
RN: 149402-51-7
UNII: DOB7Y3RSX0
InChIKey: PVXGCBZIVFCMJK-NMWXTPPCSA-N

Note

  • A photodynamic sensitizer.

Molecular Formula

  • C39-H48-N4-O4

Molecular Weight

  • 636.832
 
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Names and Synonyms

Name of Substance

  • 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a

Synonyms

  • 14-Ethyl-9-(1-(hexyloxy)ethyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid
  • HPPH
  • Photochlor
  • UNII-DOB7Y3RSX0

Systematic Name

  • 3-Phorbinepropanoic acid, 14-ethyl-9-(1-(hexyloxy)ethyl)-4,8,13,18-tetramethyl-20-oxo-

Registry Numbers

CAS Registry Number

  • 149402-51-7

FDA UNII

  • DOB7Y3RSX0

System Generated Number

  • 0149402517

Structure Descriptors

InChI

1S/C39H48N4O4/c1-8-10-11-12-15-47-24(7)36-22(5)30-17-29-21(4)26(13-14-35(45)46)38(42-29)27-16-34(44)37-23(6)31(43-39(27)37)18-32-25(9-2)20(3)28(40-32)19-33(36)41-30/h17-19,21,24,26,41,43H,8-16H2,1-7H3,(H,45,46)/b28-19-,29-17-,30-17-,31-18-,32-18-,33-19-,38-27-/t21-,24?,26-/m0/s1

InChIKey

PVXGCBZIVFCMJK-NMWXTPPCSA-N

Smiles

O([C@@H](c1c(C)c2[nH]c1cc1nc(C(=C1C)CC)cc1[nH]c3c(c1C)C(Cc3c1[C@H]([C@@H](c(n1)c2)C)CCC(=O)O)=O)C)CCCCCC