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Chemical structure of (1S,9R)-Exatecan mesylate

GC73056

(1S,9R)-Exatecan mesylate

Also known as (10R,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

(1S,9R)-Exatecan mesylate ((1S,9R)-DX8951f) is an isomer of Exatecan mesylate

ChemicalCAS2938875-54-6MW531.55FormulaC25H26FN3O7S
CAS number
2938875-54-6
Molecular weight
531.55
Formula
C25H26FN3O7S
Solubility
DMSO : 50 mg/mL (94·06 mM; Need ultrasonic)
InChIKey
BICYDYDJHSBMFS-HCGKRMLVSA-N
Catalogue number
GC73056
Brand
GLPBIO
Computed properties PubChem CID 169450533 · TPSA 169 Ų · H-bond donors 3 · H-bond acceptors 10
TPSA
169 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
1
Heavy atoms
37

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

Computed descriptors from PubChem (CID 169450533), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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