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Chemical structure of Exatecan Intermediate 4

GC74653

Exatecan Intermediate 4

Also known as 2,8-diamino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

Exatecan Intermediate 4 (compound B) is an intermediate of Exatecan (DX-8951, )

ChemicalCAS2436720-50-0MW244.69FormulaC11H14ClFN2O
CAS number
2436720-50-0
Molecular weight
244.69
Formula
C11H14ClFN2O
InChIKey
VCANVVSBSCMCON-UHFFFAOYSA-N
Catalogue number
GC74653
Brand
GLPBIO
Computed properties PubChem CID 138911490 · TPSA 69.1 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
69.1 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
16

SMILES CC1=C(C=C(C2=C1CCC(C2=O)N)N)F.Cl

Computed descriptors from PubChem (CID 138911490), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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