Hydrogenobyrinic acid

CAS Registry Number®

23599-55-5
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CAS Name

Hydrogenobyrinic acid

Molecular Formula

C45H60N4O14

Molecular Mass

880.98

Cite this Page

Hydrogenobyrinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=23599-55-5 (retrieved 2024-04-30) (CAS RN: 23599-55-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,48H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)

InChIKey

InChIKey=ALLJLLMNGBKZLT-UHFFFAOYSA-N

SMILES

CC12C3C(CC(O)=O)C(CCC(O)=O)(C)C(N3)=C(C)C=4C(CCC(O)=O)C(C)(C)C(N4)=CC5=NC(=C(C)C(=N1)C(CCC(O)=O)C2(CC(O)=O)C)C(CC(O)=O)(C)C5CCC(O)=O

Canonical SMILES

O=C(O)CCC1C2=NC(=C(C3=NC(C)(C4NC(=C(C5=NC(=C2)C(C)(C)C5CCC(=O)O)C)C(C)(CCC(=O)O)C4CC(=O)O)C(C)(CC(=O)O)C3CCC(=O)O)C)C1(C)CC(=O)O

Other Names for this Substance

  • Hydrogenobyrinic acid
  • Corrin, hydrogenobyrinic acid deriv.
  • Cobyrinic acid, decobalt deriv.
  • Decobaltcobyrinic acid
  • 2,7,18-Tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,17-corrintetrapropanoic acid

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