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Substance Name: Phytochlorin
RN: 19660-77-6
UNII: 5S2CCF3T1Z
InChIKey: VAJLRIOJDADNAT-HHGNVTQFSA-N

Classification Code

  • Radiation-Sensitizing Agents

Molecular Formula

  • C34-H36-N4-O6

Molecular Weight

  • 596.6804
 
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Names and Synonyms

Name of Substance

  • Phytochlorin

Synonyms

  • 21H,23H-Porphine-2-propanoic acid, 18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-,(2S-trans)-
  • EINECS 243-209-4
  • UNII-5S2CCF3T1Z

Systematic Names

  • (2S-trans)-18-Carboxy-20-(carboxymethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionic acid
  • 21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, (7S,8S)-

Registry Numbers

CAS Registry Number

  • 19660-77-6

FDA UNII

  • 5S2CCF3T1Z

Other Registry Numbers

  • 127770-19-8
  • 130-47-2
  • 220255-92-5
  • 23725-01-1
  • 25657-46-9
  • 261522-17-2
  • 28068-81-7
  • 482-17-7
  • 53255-00-8

System Generated Number

  • 0019660776

Structure Descriptors

InChI

1S/C34H36N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,12-14,17,21,35,38H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-,33-22-/t17-,21-/m0/s1

InChIKey

VAJLRIOJDADNAT-HHGNVTQFSA-N

Smiles

CCC\1=C(c2/cc\3/c(c(/c(/[nH]3)c/c4n/c(c(\c5c(c(c([nH]5)/cc1\n2)C)C(=O)O)/CC(=O)O)/[C@H]([C@@H]4C)CCC(=O)O)C)C=C)C