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dasatinib monohydrate

CHEBI:CHEBI_70839

Definition

A hydrate that is the monohydrate of dasatinib. It is used for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).

Chemical Information

Molecular Formula
C22H28ClN7O3S
Molecular Mass
506.02100
Charge
0
SMILES
O.Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
InChI
InChI=1S/C22H26ClN7O2S.H2O/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31;/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);1H2
InChIKey
XHXFZZNHDVTMLI-UHFFFAOYSA-N

Alternative Names

  • dasatinib
  • BMS 354825-03
  • BMS 35482503
  • dasatinib hydrate
  • dasatinib.H2O
  • N-(2-chloro-6-methylphenyl)-2-((6-(4-(2- hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide hydrate
  • N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide--water (1/1)
  • Sprycel

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

oboInOwl#hasDbXref
Reaxys:14444783
DRON_00010000
475342
core#notation
CHEBI:70839

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
oboInOwl#hasDbXref
Reaxys:14444783
DRON_00010000
475342
oboInOwl#id
CHEBI:70839
core#notation
CHEBI:70839
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_38637
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
BFO_0000051
http://purl.obolibrary.org/obo/CHEBI_49375
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
has_treatment
http://purl.obolibrary.org/obo/DOID_3256
rdf-schema#range
https://w3id.org/def/predibionto#has_drug_102559
owl#annotatedSource
t276678
owl#someValuesFrom
t1068586