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Substance Name: Pheophorbide a
RN: 15664-29-6
UNII: IA2WNI2HO2
InChIKey: NSFSLUUZQIAOOX-QEWKCGBTSA-N

Note

  • Split product of chlorophyll obtained by saponification of pheophytin.

Classification Code

  • Radiation-Sensitizing Agents

Molecular Formula

  • C35-H36-N4-O5

Molecular Weight

  • 592.6924
 
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Names and Synonyms

Name of Substance

  • Pheophorbide a

Synonyms

  • CCRIS 8091
  • EINECS 239-738-5
  • UNII-IA2WNI2HO2

Systematic Names

  • (3S-(3alpha,4beta,21beta))-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionic acid
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)-

Registry Numbers

CAS Registry Number

  • 15664-29-6

FDA UNII

  • IA2WNI2HO2

Other Registry Numbers

  • 28979-78-4
  • 29702-69-0

System Generated Number

  • 0015664296

Structure Descriptors

InChI

1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-,31+/m0/s1

InChIKey

NSFSLUUZQIAOOX-QEWKCGBTSA-N

Smiles

CCC1=C(/c/2c/c3c(c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C)CCC(=O)O)C)C=C)C