Coproporphyrin I tetramethyl ester

CAS Registry Number®

25767-20-8
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CAS Name

Coproporphyrin I tetramethyl ester

Molecular Formula

C40H46N4O8

Molecular Mass

710.82

Cite this Page

Coproporphyrin I tetramethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=25767-20-8 (retrieved 2024-04-25) (CAS RN: 25767-20-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=OVYASYKFNWTMII-OGHNNYICSA-N

SMILES

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

Canonical SMILES

O=C(OC)CCC=1C2=NC(=CC=3NC(C=C4N=C(C=C5NC(=C2)C(=C5CCC(=O)OC)C)C(=C4CCC(=O)OC)C)=C(C3CCC(=O)OC)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-tetramethyl ester
  • Coproporphyrin I tetramethyl ester
  • 2,7,12,17-Porphinetetrapropionic acid, 3,8,13,18-tetramethyl-, tetramethyl ester
  • 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetramethyl-, tetramethyl ester
  • NSC 89196

Deleted or Replaced CAS Registry Numbers

59320-65-9

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