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Substance Name: 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetramethyl-, hydrochloride (1:2)
RN: 68938-73-8
InChIKey: VIRAXXYOIOHYLI-HXFTUNQESA-N

Molecular Formula

  • C36-H38-N4-O8.2Cl-H

Molecular Weight

  • 727.638
 
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Names and Synonyms

Synonyms

  • Coproporphyrin III, dihydrochloride
  • EINECS 273-142-6

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 68938-73-8

Other Registry Number

  • 1185723-22-1

Related Registry Number

  • 14643-66-4 (Parent)

System Generated Number

  • 0068938738

Molecular Formulas

Molecular Formula

  • C36-H38-N4-O8.2Cl-H

Molecular Formula Fragments

  • C36-H38-N4-O8
  • Cl-H
  • COMPONENT

Structure Descriptors

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

VIRAXXYOIOHYLI-HXFTUNQESA-N

Smiles

C(C=1c2cc3c(c(c([nH]3)cc3C(=C(c(n3)cc3[nH]c(cc(C1C)n2)c(c3CCC(O)=O)C)C)CCC(=O)O)C)CCC(O)=O)CC(O)=O.Cl.Cl