Deoxypyridinoline

CAS Registry Number®

83462-55-9

CAS Name

Deoxypyridinoline

Molecular Formula

C18H28N4O7

Cite this Page

Deoxypyridinoline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83462-55-9 (retrieved 2024-11-23) (CAS RN: 83462-55-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H28N4O7/c19-12(16(24)25)3-1-2-6-22-8-10(4-5-13(20)17(26)27)11(15(23)9-22)7-14(21)18(28)29/h8-9,12-14H,1-7,19-21H2,(H3-,23,24,25,26,27,28,29)/t12-,13-,14-/m0/s1

InChIKey

InChIKey=ZAHDXEIQWWLQQL-IHRRRGAJSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Pyridinium, 4-[(2S)-2-amino-2-carboxyethyl]-1-[(5S)-5-amino-5-carboxypentyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxy-, inner salt
  • Pyridinium, 4-(2-amino-2-carboxyethyl)-1-(5-amino-5-carboxypentyl)-3-(3-amino-3-carboxypropyl)-5-hydroxy-, inner salt, stereoisomer
  • Lysylpyridinoline
  • Deoxypyridinoline

Deleted or Replaced CAS Registry Numbers

90032-33-0

CAS INSIGHTSTM
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