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Substance Name: Isocoproporphyrin
RN: 36548-09-1
InChIKey: UHKZSWAPQUEURH-TXUIXYGZSA-N

Molecular Weight

  • 654.716
 
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Names and Synonyms

Name of Substance

  • Isocoproporphyrin

Systematic Name

  • 3-(Carboxymethyl)-12-ethyl-8,13,17-trimethyl-21H,23H-porphine-2,7,18-tripropanoic acid

Registry Numbers

CAS Registry Number

  • 36548-09-1

System Generated Number

  • 0036548091

Structure Descriptors

InChI

1S/C36H38N4O8/c1-5-20-17(2)25-13-26-18(3)21(6-9-33(41)42)29(38-26)15-31-23(8-11-35(45)46)24(12-36(47)48)32(40-31)16-30-22(7-10-34(43)44)19(4)27(39-30)14-28(20)37-25/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-14-,29-15-,30-16-,31-15-,32-16-

InChIKey

UHKZSWAPQUEURH-TXUIXYGZSA-N

Smiles

C(c1c(c2cc3nc(C(=C3CCC(=O)O)C)cc3[nH]c(cc4nc(C(=C4C)CCC(=O)O)cc1[nH]2)c(c3C)CC)CCC(=O)O)C(O)=O