General Information of Drug (ID: DMQCIXT)

Drug Name
Cis-tetracosenoyl sulfatide
Synonyms Cis-tetracosenoyl sulfatide (amyotrophic lateral sclerosis); Cis-tetracosenoyl sulfatide (amyotrophic lateral sclerosis), Glycoregimmune
Indication
Disease Entry ICD 11 Status REF
Motor neurone disease 8B60 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C48H91NO11S
Canonical SMILES
CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)O
InChI
1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1
InChIKey
ZZQWQNAZXFNSEP-JCOQVFCVSA-N
Cross-matching ID
PubChem CID
5459361
ChEBI ID
CHEBI:41539
CAS Number
151057-28-2
TTD ID
D0X4FY

References

1 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.