Uroporphyrin I

CAS Registry Number®

607-14-7
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CAS Name

Uroporphyrin I

Molecular Formula

C40H38N4O16

Molecular Mass

830.75

Cite this Page

Uroporphyrin I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=607-14-7 (retrieved 2024-05-18) (CAS RN: 607-14-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=DAFUFNRZWDWXJP-AULBMZIGSA-N

SMILES

C(CC(O)=O)C=1C(CC(O)=O)=C2NC1C=C3C(CC(O)=O)=C(CCC(O)=O)C(=N3)C=C4C(CC(O)=O)=C(CCC(O)=O)C(=CC5=NC(=C2)C(CCC(O)=O)=C5CC(O)=O)N4

Canonical SMILES

O=C(O)CC=1C=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5CC(=O)O)CCC(=O)O)C(=C4CC(=O)O)CCC(=O)O)C(=C3CC(=O)O)CCC(=O)O)C1CCC(=O)O

Other Names for this Substance

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

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