| CAS Number | 88606-96-6 |
| Catalog Number | AG003DTH(AGN-PC-0VMOCR) |
| Chemical Name | 1-[5-FLUORO-2-[2-HYDROXY-3-(TERT-BUTYLAMINO)PROPOXY]PHENYL]BUTAN-1-ONE MALEATE |
| EC Number | 289-431-5 |
| IUPAC Name | (Z)-but-2-enedioic acid;1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl]butan-1-one |
| InChI | InChI=1S/C17H26FNO3.C4H4O4/c1-5-6-15(21)14-9-12(18)7-8-16(14)22-11-13(20)10-19-17(2,3)4;5-3(6)1-2-4(7)8/h7-9,13,19-20H,5-6,10-11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChI Key | XAFHIGHFTQNWCF-BTJKTKAUSA-N |
| MDL Number | MFCD08276345 |
| Molecular Formula | C21H30FNO7 |
| Molecular Weight | 427.4638 |
| SMILES | CCCC(C1=CC(F)=CC=C1OCC(O)CNC(C)(C)C)=O.O=C(O)/C=CC(O)=O |
| Synonyms | 88606-96-6,
1-[5-FLUORO-2-[2-HYDROXY-3-(TERT-BUTYLAMINO)PROPOXY]PHENYL]BUTAN-1-ONE MALEATE,
1-(2-(3-(tert-Butylamino)-2-hydroxypropoxy)-5-fluorophenyl)butan-1-one maleate,
Butofilolol maleate,
EINECS 289-431-5,
AC1O51SV,
SCHEMBL6061269,
MFCD23160697,
AKOS024257790,
TX-015883,
(1)-1-(2-(3-(tert-Butylamino)-2-hydroxypropoxy)-5-fluorophenyl)butan-1-one maleate,
1-[5-Fluoro-2-[2-hydroxy-3-(t-butylamino)propoxy]phenyl]butan-1-one maleate,
(Z)-but-2-enedioic acid; 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl]butan-1-one,
UNII-5O9KI0VYPM,
5O9KI0VYPM,
C17H26FNO3.C4H4O4,
CID6450493,
C17-H26-F-N-O3.C4-H4-O4,
()-1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl]butan-1-one maleate,
(+-)-1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl]butan-1-one maleate,
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| Complexity | 462 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 427.201g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 427.469g/mol |
| Monoisotopic Mass | 427.201g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number