Coproporphyrin I

CAS Registry Number®

531-14-6
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CAS Name

Coproporphyrin I

Molecular Formula

C36H38N4O8

Molecular Mass

654.71

Cite this Page

Coproporphyrin I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=531-14-6 (retrieved 2024-04-25) (CAS RN: 531-14-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-14?,27-15-,28-16?,29-14-,30-13?,31-16-,32-15?

InChIKey

InChIKey=VORBHEGMEBOMMB-AULBMZIGSA-N

SMILES

C(CC(O)=O)C1=C2C=C3C(C)=C(CCC(O)=O)C(=N3)C=C4C(C)=C(CCC(O)=O)C(N4)=CC5=NC(=CC(N2)=C1C)C(CCC(O)=O)=C5C

Canonical SMILES

O=C(O)CCC=1C2=NC(=CC=3NC(C=C4N=C(C=C5NC(=C2)C(=C5CCC(=O)O)C)C(=C4CCC(=O)O)C)=C(C3CCC(=O)O)C)C1C

Other Names for this Substance

  • 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetramethyl-
  • 2,7,12,17-Porphinetetrapropionic acid, 3,8,13,18-tetramethyl-
  • Coproporphyrin I
  • 3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropanoic acid
  • 3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionic acid

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Deleted or Replaced CAS Registry Numbers

1111-21-3

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