Molecules/Exatecan Mesylate

Exatecan Mesylate

(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

C25H30FN3O9S567.60 g/molCID 151114

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Molecular Identity

Exatecan Mesylate

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

171

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

1040

Complexity

SMILES

Canonical SMILES

SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O.CS(=O)(=O)O.O.O

Isomeric SMILES

SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O.CS(=O)(=O)O.O.O

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;dihydrate(1S,9S)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione methanesulfonate dihydrate

Data from PubChem (NCBI)

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Molecular Structure

Exatecan Mesylate

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Source: PubChem

Drug Network

Trials and conditions connected to Exatecan Mesylate

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