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[ CAS No. 3978-86-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 3978-86-7
Chemical Structure| 3978-86-7
Structure of 3978-86-7 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 3978-86-7 ]

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Product Details of [ 3978-86-7 ]

CAS No. :3978-86-7 MDL No. :MFCD00242593
Formula : C28H30N2O8 Boiling Point : -
Linear Structure Formula :- InChI Key :SGHXFFAHXTZRQM-SPIKMXEPSA-N
M.W : 522.55 Pubchem ID :5281066
Synonyms :
Azatadine maleate;Azatadine (maleate);Zadine;Schering-Plough brand of azatadine maleate;Schering brand of azatadine maleate;Optimine;Lergocil;Key brand of azatadine maleate;Juste brand of azatadine maleate;Idulian;Idulamine;azatadine

Calculated chemistry of [ 3978-86-7 ]

Physicochemical Properties

Num. heavy atoms : 38
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.25
Num. rotatable bonds : 4
Num. H-bond acceptors : 10.0
Num. H-bond donors : 4.0
Molar Refractivity : 144.19
TPSA : 165.33 Ų

Pharmacokinetics

GI absorption : None
BBB permeant : None
P-gp substrate : None
CYP1A2 inhibitor : None
CYP2C19 inhibitor : None
CYP2C9 inhibitor : None
CYP2D6 inhibitor : None
CYP3A4 inhibitor : None
Log Kp (skin permeation) : None cm/s

Lipophilicity

Log Po/w (iLOGP) : None
Log Po/w (XLOGP3) : None
Log Po/w (WLOGP) : 2.75
Log Po/w (MLOGP) : None
Log Po/w (SILICOS-IT) : None
Consensus Log Po/w : None

Druglikeness

Lipinski : None
Ghose : None
Veber : None
Egan : None
Muegge : None
Bioavailability Score : None

Water Solubility

Log S (ESOL) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (Ali) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (SILICOS-IT) : None
Solubility : None mg/ml ; None mol/l
Class : None

Medicinal Chemistry

PAINS : None alert
Brenk : None alert
Leadlikeness : None
Synthetic accessibility : None

Safety of [ 3978-86-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261 UN#:N/A
Hazard Statements:H302-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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