2,18-Dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate

CAS Registry Number®

10589-94-3
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CAS Name

2,18-Dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate

Molecular Formula

C32H34N4O4

Molecular Mass

538.64

Cite this Page

2,18-Dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=10589-94-3 (retrieved 2024-04-28) (CAS RN: 10589-94-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    224-225 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H34N4O4/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22/h11-16,33,36H,7-10H2,1-6H3/b21-13-,22-14?,25-13?,26-15?,27-14-,28-15-,29-16?,30-16-

InChIKey

InChIKey=MTXRVEYQSPRYBW-ZPSCAXFGSA-N

SMILES

C(CC(OC)=O)C1=C2C=C3C(CCC(OC)=O)=C(C)C(=N3)C=C4NC(=CC5=NC(=CC(N2)=C1C)C(C)=C5)C(C)=C4

Canonical SMILES

O=C(OC)CCC=1C=2N=C(C=C3C=C(C(=CC4=NC(=CC=5NC(C2)=C(C5C)CCC(=O)OC)C(=C4)C)N3)C)C1C

Other Names for this Substance

  • 21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, 2,18-dimethyl ester
  • 2,18-Porphinedipropionic acid, 3,7,12,17-tetramethyl-, dimethyl ester
  • Deuteroporphyrin IX dimethyl ester
  • 21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, dimethyl ester
  • 2,18-Dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate

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Deleted or Replaced CAS Registry Numbers

2499-39-0, 129196-06-1, 168206-48-2, 246037-92-3, 283604-12-6, 460745-37-3, 475639-44-2, 942128-90-7, 1007459-74-6

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