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Chemical structure of Azaphen dihydrochloride monohydrate

GC35444

Azaphen dihydrochloride monohydrate

Also known as 5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine;hydrate;dihydrochloride

Pipofezine(Azafen or Azaphen) is a potent inhibitor of the reuptake of serotonin

ChemicalCAS63302-99-8MW388.29FormulaC16H23Cl2N5O2
CAS number
63302-99-8
Molecular weight
388.29
Formula
C16H23Cl2N5O2
Solubility
Water： ≥ 100 mg/mL (257·54 mM); DMSO： 1 mg/mL (2·58 mM)
InChIKey
VKMOGSQJNTXLNA-UHFFFAOYSA-N
Catalogue number
GC35444
Brand
GLPBIO
Computed properties PubChem CID 2728833 · TPSA 45.7 Ų · H-bond donors 3 · H-bond acceptors 7
TPSA
45.7 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
1
Heavy atoms
25

SMILES CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=CC=CC=C4O3)C.O.Cl.Cl

Computed descriptors from PubChem (CID 2728833), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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