BGC > CAS Search > 83462-55-9

Molecular Formula: C18H28N4O7
Molecular Weight: 412.44

Description :
Deoxypyridinoline is one of two pyridinium cross-links that provide structural stiffness to type I collagen found in bones. It can be used along with other bone markers such as alkaline phosphatase, osteocalcin, and N-terminal telopeptide to diagnose bone diseases such as postmenopausal osteoporosis, bone metastasis, and Paget's disease.

• Molecular Weight :412.45
• Purity :> 95%

Molecular Formula :
C18H28N4O7
Canonical SMILES :
C1=C(C(=C(C=[N+]1CCCCC(C(=O)[O-])N)O)CC(C(=O)O)N)CCC(C(=O)O)N
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 :
ZAHDXEIQWWLQQL-IHRRRGAJSA-N
Synonyms :
Deoxypyridinoline; 83462-55-9; (S)-2-Amino-6-(4-((S)-2-amino-2-carboxyethyl)-3-((S)-3-amino-3-carboxypropyl)-5-hydroxypyridin-1-ium-1-yl)hexanoate; UNII-GXI9WV7IP9GXI9WV7IP9

More details are to be found here

Formula:
C18H29N4O7
Mol Weight:
413,44g/mol
Synonym:
4-((S)-2-amino-2-carboxyethyl)-3-((S)-3-amino-3-carboxypropyl)-1-((S)-5-amino-5-carboxypentyl)-5-hydroxypyridinium trifluoroacetat

More details are to be found here

Formula:
C18H29N4O7
Mol Weight:
413,44g/mol
Synonym:
4-((S)-2-amino-2-carboxyethyl)-3-((S)-3-amino-3-carboxypropyl)-1-((S)-5-amino-5-carboxypentyl)-5-hydroxypyridinium trifluoroacetat

More details are to be found here