General Information of the Compound
| Compound ID |
CP0960832
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| Compound Name |
ABEDITEROL
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| Synonyms |
LABA
LAS 100977
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| Structure |
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| Formula |
C25H30F2N2O4
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| Molecular Weight |
460.521
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| Canonical SMILES |
O=c1ccc2c([C@@H](O)CNCCCCCCOCC(F)(F)c3ccccc3)ccc(O)c2[nH]1
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| InChI |
InChI=1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1
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| InChIKey |
SFYAXIFVXBKRPK-QFIPXVFZSA-N
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| CAS |
915133-65-2
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound