21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetramethyl-, hydrochloride (1:2)

CAS Registry Number®

68938-73-8
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CAS Name

21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetramethyl-, hydrochloride (1:2)

Molecular Formula

C36H38N4O8.2ClH

Cite this Page

21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetramethyl-, hydrochloride (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68938-73-8 (retrieved 2024-05-15) (CAS RN: 68938-73-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=VIRAXXYOIOHYLI-CVAGSFOQSA-N

SMILES

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

Canonical SMILES

Cl.O=C(O)CCC=1C=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3CCC(=O)O)C)C1C

Other Names for this Substance

  • 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetramethyl-, hydrochloride (1:2)
  • 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetramethyl-, dihydrochloride
  • Coproporphyrin III dihydrochloride

Deleted or Replaced CAS Registry Numbers

1185723-22-1

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