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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
|
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 |
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 |
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 |
Lipinski : | None |
Ghose : | None |
Veber : | None |
Egan : | None |
Muegge : | None |
Bioavailability Score : | None |
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 |
PAINS : | None alert |
Brenk : | None alert |
Leadlikeness : | None |
Synthetic accessibility : | None |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261 | UN#: | N/A |
Hazard Statements: | H302-H335 | Packing Group: | N/A |
GHS Pictogram: |