Uroporphyrinogen III

CAS Registry Number®

1976-85-8
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CAS Name

Uroporphyrinogen III

Molecular Formula

C40H44N4O16

Molecular Mass

836.79

Cite this Page

Uroporphyrinogen III.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1976-85-8 (retrieved 2024-07-18) (CAS RN: 1976-85-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H44N4O16/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/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)

InChIKey

InChIKey=HUHWZXWWOFSFKF-UHFFFAOYSA-N

SMILES

C(CC(O)=O)C1=C2NC(=C1CC(O)=O)CC3=C(CCC(O)=O)C(CC(O)=O)=C(N3)CC=4NC(CC=5NC(C2)=C(CCC(O)=O)C5CC(O)=O)=C(CC(O)=O)C4CCC(O)=O

Canonical SMILES

O=C(O)CC1=C2NC(=C1CCC(=O)O)CC=3NC(=C(C3CC(=O)O)CCC(=O)O)CC=4NC(=C(C4CC(=O)O)CCC(=O)O)CC=5NC(=C(C5CCC(=O)O)CC(=O)O)C2

Other Names for this Substance

  • 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-
  • 2,7,12,18-Porphinetetrapropionic acid, 3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-
  • Uroporphyrinogen III
  • 3,8,13,17-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-21H,23H-porphine-2,7,12,18-tetrapropanoic acid
  • Urogen III