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Substance Name: Uroporphyrin I
RN: 607-14-7
InChIKey: DAFUFNRZWDWXJP-JRHDEHKPSA-N

Molecular Formula

  • C40-H38-N4-O16

Molecular Weight

  • 830.752
 
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Names and Synonyms

Name of Substance

  • Uroporphyrin I

Synonym

  • 2,7,12,17-Porphinetetrapropionic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 607-14-7

Related Registry Number

  • 68929-06-6 (di-hydrochloride)

System Generated Number

  • 0000607147

Structure Descriptors

InChI

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

InChIKey

DAFUFNRZWDWXJP-JRHDEHKPSA-N

Smiles

c12nc(cc3c(c(CCC(=O)O)c([nH]3)cc3nc(cc4[nH]c(c2)c(c4CC(=O)O)CCC(=O)O)C(=C3CC(=O)O)CCC(=O)O)CC(=O)O)C(=C1CC(=O)O)CCC(=O)O