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simeprevir

CHEBI:CHEBI_134743

Chemical Information

Molecular Formula
C38H47N5O7S2
Molecular Mass
749.943
Charge
0
SMILES
C1=CCCCCN(C([C@]2([C@](C(N[C@]3([C@]1(C3)[H])C(NS(C4CC4)(=O)=O)=O)=O)(C[C@](C2)(OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C)[H])[H])[H])=O)C
InChI
InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1
InChIKey
JTZZSQYMACOLNN-VDWJNHBNSA-N

Alternative Names

  • olysio
  • simeprevir sodium
  • TMC-435
  • TMC435350

Treatment Applications

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
1482790
oboInOwl#hasDbXref
Drug_Central:4812
core#notation
CHEBI:134743

Additional References

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
1482790
oboInOwl#hasDbXref
Drug_Central:4812
oboInOwl#id
CHEBI:134743
core#notation
CHEBI:134743
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#2_STAR
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
rdf-schema#range
https://w3id.org/def/predibionto#has_drug_104781
has_treatment
http://purl.obolibrary.org/obo/DOID_1883
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect2290
owl#annotatedSource
t100280
owl#someValuesFrom
t2997688