Pyridinoline

CAS Registry Number®

63800-01-1
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CAS Name

Pyridinoline

Molecular Formula

C18H28N4O8

Cite this Page

Pyridinoline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63800-01-1 (retrieved 2024-05-06) (CAS RN: 63800-01-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H28N4O8/c19-12(16(25)26)3-1-9-6-22(7-10(23)2-4-13(20)17(27)28)8-15(24)11(9)5-14(21)18(29)30/h6,8,10,12-14,23H,1-5,7,19-21H2,(H3-,24,25,26,27,28,29,30)/t10-,12+,13+,14+/m1/s1

InChIKey

InChIKey=LCYXYLLJXMAEMT-SAXRGWBVSA-N

SMILES

C(C[C@@H](C(O)=O)N)C=1C(C[C@@H](C(O)=O)N)=C(O)C=[N+](C[C@@H](CC[C@@H](C([O-])=O)N)O)C1

Canonical SMILES

O=C([O-])C(N)CCC(O)C[N+]1=CC(O)=C(C(=C1)CCC(N)C(=O)O)CC(N)C(=O)O

Other Names for this Substance

  • L-erythro-Hexonic acid, 2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridinio]-2,3,4,6-tetradeoxy-, inner salt
  • Pyridinium, 4-[(2S)-2-amino-2-carboxyethyl]-1-[(2R,5S)-5-amino-5-carboxy-2-hydroxypentyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxy-, inner salt
  • Pyridinoline
  • Hydroxylysylpyridinoline

Deleted or Replaced CAS Registry Numbers

157137-97-8, 937183-44-3

CAS INSIGHTSTM
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