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Chemical structure of Pirarubicin Hydrochloride

GC36928

Pirarubicin Hydrochloride

Also known as (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2S)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

Pirarubicin Hydrochloride is an anthracycline antibiotics, acts as a topoisomerase II inhibitor, and is a widely used for treatment of various cancers, in particular, solid tumors

ChemicalCAS95343-20-7MW664.1FormulaC32H38ClNO12
CAS number
95343-20-7
Molecular weight
664.1
Formula
C32H38ClNO12
Solubility
DMSO： 20·83 mg/mL (31·37 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
ZPHYPKKFSHAVOE-QXTSSQDCSA-N
Catalogue number
GC36928
Brand
GLPBIO
Computed properties PubChem CID 3086415 · TPSA 204 Ų · H-bond donors 6 · H-bond acceptors 13
TPSA
204 Ų
H-bond donors
6
H-bond acceptors
13
Rotatable bonds
7
Heavy atoms
46

SMILES C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O[C@H]6CCCCO6.Cl

Computed descriptors from PubChem (CID 3086415), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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