Protoporphyrin IX

CAS Registry Number®

553-12-8
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CAS Name

Protoporphyrin IX

Molecular Formula

C34H34N4O4

Molecular Mass

562.66

Cite this Page

Protoporphyrin IX.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=553-12-8 (retrieved 2024-03-04) (CAS RN: 553-12-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=KSFOVUSSGSKXFI-VJCKZMALSA-N

SMILES

C(CC(O)=O)C1=C2C=C3C(CCC(O)=O)=C(C)C(=N3)C=C4NC(=CC5=NC(=CC(N2)=C1C)C(C=C)=C5C)C(C=C)=C4C

Canonical SMILES

O=C(O)CCC=1C=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C)CCC(=O)O)C(C=C)=C4C)C(C=C)=C3C)C1C

Other Names for this Substance

  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-3,8,13,17-tetramethyl-
  • Protoporphyrin IX
  • 2,18-Porphinedipropionic acid, 3,8,13,17-tetramethyl-7,12-divinyl-
  • 7,12-Diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid
  • Ooporphyrin

Deleted or Replaced CAS Registry Numbers

1818-68-4, 37188-04-8, 42183-71-1, 50312-31-7, 61320-51-2, 63872-77-5, 68034-48-0, 75440-82-3, 75460-41-2, 75599-49-4, 75750-98-0, 227475-00-5, 263148-77-2, 392312-74-2, 562103-89-3, 673437-82-6, 720672-66-2, 880014-89-1, 885267-29-8, 942418-20-4, 1005309-17-0, 1018811-74-9, 1057726-94-9, 1185235-79-3, 1564276-52-3, 1650010-82-4, 2234266-25-0

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