2,7,12,18-Tetramethyl 3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropanoate

CAS Registry Number®

5522-63-4
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CAS Name

2,7,12,18-Tetramethyl 3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropanoate

Molecular Formula

C40H46N4O8

Molecular Mass

710.82

Cite this Page

2,7,12,18-Tetramethyl 3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5522-63-4 (retrieved 2024-05-05) (CAS RN: 5522-63-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    175-178 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H46N4O8/c1-21-25(9-13-37(45)49-5)33-18-31-23(3)26(10-14-38(46)50-6)34(43-31)19-32-24(4)28(12-16-40(48)52-8)36(44-32)20-35-27(11-15-39(47)51-7)22(2)30(42-35)17-29(21)41-33/h17-20,41,44H,9-16H2,1-8H3/b29-17?,30-17-,31-18-,32-19-,33-18?,34-19?,35-20?,36-20-

InChIKey

InChIKey=LBHYIBKOOKXTGC-IGIPUEBESA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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

Deleted or Replaced CAS Registry Numbers

17484-74-1, 885267-31-2, 1195553-03-7

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