Exatecan mesilate hydrate
(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanesulfonic acid;dihydrate
Molecular Identity
Exatecan mesilate hydrate
(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanesulfonic acid;dihydrate
PubChem CID: 151114
Exatecan mesilate hydrate is a pyranoindolizinoquinoline.
2D Structure
Properties
C25H30FN3O9S
Molecular Formula
567.60
Molecular Weight
g/mol
567.1687
Exact Mass
Da
171
TPSA
May have limited oral absorption
5
H-Bond Donors
12
H-Bond Acceptors
1040
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Exatecan mesilate hydrateExatecan mesylate hydrateexatecan mesylate dihydrateDX-8951fExatecan methanesulfonate dihydrateExatecan mesilate dihydrateD2VJ1CC26Q10H,13H-Benzo(de)pyrano(3'm4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S-trans)-, methanesulfonate (1:1) (salt), dihydrateRefChem:139710Exatecan Mesylate197720-53-9Exatecan mesylate [USAN]Exatecan (mesylate dihydrate)(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanesulfonic acid;dihydrateExatecan mesylate (USAN)
Data from PubChem (NCBI)
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