CHONDROITIN SULFATE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M01AX25

Structure
InChI Key OAEOAAHCJGWJIC-CEVJMMQXSA-N
Smile CC(=O)N[C@@H]1[C@@H](COC[C@@H]2O[C@H](C(=O)O)[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](CS(=O)(=O)O)[C@@H](CO)O[C@H]1CO
InChI
InChI=1S/C19H33NO14S/c1-8(24)20-15-10(11(7-35(29,30)31)12(3-22)33-13(15)4-23)5-32-6-14-17(26)16(25)9(2-21)18(34-14)19(27)28/h9-18,21-23,25-26H,2-7H2,1H3,(H,20,24)(H,27,28)(H,29,30,31)/t9-,10-,11+,12+,13-,14-,15+,16-,17-,18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H33NO14S
Molecular Weight 531.53
AlogP -4.44
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 11.0
Polar Surface Area 249.61
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 35.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis 3 D010003 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2303614
ZINC ZINC000095569775
CONTENTS