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Substance Name: Uroporphyrin III
RN: 18273-06-8
UNII: QGR6X13T96
InChIKey: VZVFNUAIRVUCEW-UJJXFSCMSA-N

Molecular Weight

  • 830.752
 
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Names and Synonyms

Name of Substance

  • Uroporphyrin III

Synonym

  • UNII-QGR6X13T96

Systematic Name

  • 3,8,13,17-Tetrakis(carboxymethyl)-21H,23H-porphine-2,7,12,18-tetrapropanoic acid

Registry Numbers

CAS Registry Number

  • 18273-06-8

FDA UNII

  • QGR6X13T96

System Generated Number

  • 0018273068

Structure Descriptors

InChI

InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-

InChIKey

VZVFNUAIRVUCEW-UJJXFSCMSA-N

Smiles

OC(=O)CCC1=C(CC(=O)O)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(CCC(=O)O)c5CC(=O)O)c(CC(=O)O)c4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O