Mesoporphyrin dimethyl ester

CAS Registry Number®

1263-63-4
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CAS Name

Mesoporphyrin dimethyl ester

Molecular Formula

C36H42N4O4

Molecular Mass

594.74

Cite this Page

Mesoporphyrin dimethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1263-63-4 (retrieved 2024-04-18) (CAS RN: 1263-63-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H42N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h15-18,37,40H,9-14H2,1-8H3/b27-15?,28-15-,29-16-,30-17-,31-16?,32-17?,33-18?,34-18-

InChIKey

InChIKey=LUUYUVIPWOKSNM-ZYXFLHOESA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, 2,18-dimethyl ester
  • 2,18-Porphinedipropionic acid, 8,13-diethyl-3,7,12,17-tetramethyl-, dimethyl ester
  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester
  • Mesoporphyrin IX, dimethyl ester
  • Mesoporphyrin dimethyl ester

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Deleted or Replaced CAS Registry Numbers

63626-96-0

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