21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, sodium salt (1:2)

CAS Registry Number®

93891-87-3
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CAS Name

21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, sodium salt (1:2)

Molecular Formula

C33H36N4O6.2Na

Cite this Page

21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, sodium salt (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=93891-87-3 (retrieved 2022-08-10) (CAS RN: 93891-87-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H36N4O6.2Na/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26;;/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41);;/b26-13-,27-14-;;

InChIKey

InChIKey=JNBBSKUNAFTQAK-PDQJREFDSA-N

SMILES

C(C1=C(CCC(O)=O)C(C)=C(/C=C\2/C(C=C)=C(C)C(=O)N2)N1)C3=C(CCC(O)=O)C(C)=C(/C=C\4/C(C)=C(C=C)C(=O)N4)N3.[Na]

Canonical SMILES

[Na].O=C(O)CCC1=C(NC(C=C2NC(=O)C(=C2C=C)C)=C1C)CC=3NC(C=C4NC(=O)C(C=C)=C4C)=C(C3CCC(=O)O)C

Other Names for this Substance

  • 21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, sodium salt (1:2)
  • 21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, disodium salt
  • Disodium bilirubinate IXα

Deleted or Replaced CAS Registry Numbers

188341-33-5