| CAS Number | 41937-02-4 |
| Catalog Number | AG00BZO2 |
| Chemical Name | brombuterol hydrochloride |
| IUPAC Name | 1-(4-amino-3,5-dibromophenyl)-2-(tert-butylamino)ethanol |
| InChI | InChI=1S/C12H18Br2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3 |
| InChI Key | PLFUBWPEUSILSL-UHFFFAOYSA-N |
| MDL Number | MFCD02956068 |
| Molecular Formula | C12H19Br2ClN2O |
| Molecular Weight | 402.5531 |
| SMILES | OC(c1cc(Br)c(c(c1)Br)N)CNC(C)(C)C.Cl |
| Synonyms | brombuterol,
brombuterol monohydrochloride,
bromobuterol,
Brombuterol,
41937-02-4,
Bromobuterol,
1-(4-amino-3,5-dibromophenyl)-2-(tert-butylamino)ethanol,
AC1MJ3D4,
Oprea1_705029,
SCHEMBL10614285,
AKOS015888358,
I01-10345,
1-(4-Amino-3,5-dibromo-phenyl)-2-tert-butylamino-ethanol,
Benzenemethanol, 4-amino-3,5-dibromo-alpha-(((1,1-dimethylethyl)amino)methyl)-,
C12-H18-Br2-N2-O,
CID3084849,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.097g/mol |
| Monoisotopic Mass | 363.979g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number