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Substance Name: Protoporpyrin IX
RN: 553-12-8
UNII: C2K325S808
InChIKey: KSFOVUSSGSKXFI-UJJXFSCMSA-N

Classification Codes

  • Dermatologic Agents
  • Photosensitizing Agents
  • Radiation-Sensitizing Agents

Molecular Formula

  • C34-H34-N4-O4

Molecular Weight

  • 562.667
 
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Names and Synonyms

Name of Substance

  • Protoporphyrin IX
  • Protoporpyrin IX

Synonyms

  • EINECS 209-033-7
  • NSC 2632
  • Ooporphyrin
  • PROTOPORPHYRIN
  • Protoporphyrin IX
  • Protoporphyrin IX (VAN)
  • UNII-C2K325S808

Systematic Names

  • 2,18-Porphinedipropionic acid, 3,8,13,17-tetramethyl-7,12-divinyl- (8CI)
  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-3,8,13,17-tetramethyl-
  • 3,3'-(3,7,12,17-Tetramethyl-8,13-divinylporphine-2,18-diyl)di(propionic acid)

Registry Numbers

CAS Registry Number

  • 553-12-8

FDA UNII

  • C2K325S808

Other Registry Numbers

  • 1005309-17-0
  • 1018811-74-9
  • 1057726-94-9
  • 1185235-79-3
  • 1564276-52-3
  • 1818-68-4
  • 227475-00-5
  • 263148-77-2
  • 37188-04-8
  • 392312-74-2
  • 42183-71-1
  • 50312-31-7
  • 562103-89-3
  • 61320-51-2
  • 63872-77-5
  • 673437-82-6
  • 68034-48-0
  • 720672-66-2
  • 75440-82-3
  • 75460-41-2
  • 75599-49-4
  • 75750-98-0
  • 880014-89-1
  • 885267-29-8
  • 942418-20-4

Related Registry Number

  • 50865-01-5 (di-hydrochloride salt)

System Generated Number

  • 0000553128

Structure Descriptors

InChI

1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-

InChIKey

KSFOVUSSGSKXFI-UJJXFSCMSA-N

Smiles

c12c(c(C)c([nH]2)cc2C(=C(C)c(n2)cc2[nH]c(cc3nc(c1)C(=C3C)CCC(O)=O)c(c2C=C)C)C=C)CCC(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 7.430 (none)   EST
Water Solubility 169 mg/L 25 EXP
Atmospheric OH Rate Constant 2.58E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.