728-40-5 Purity
98%
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Specification
The molecular formula of Xamoterol hemifumarate is C36H54N6O14.
The molecular weight of Xamoterol hemifumarate is 794.8 g/mol.
The IUPAC name of Xamoterol hemifumarate is (E)-but-2-enedioic acid;N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide.
The InChIKey of Xamoterol hemifumarate is QEDVGROSOZBGOZ-WXXKFALUSA-N.
The canonical SMILES of Xamoterol hemifumarate is C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O.C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O.C(=CC(=O)O)C(=O)O.
The CAS number of Xamoterol hemifumarate is 73210-73-8.
Xamoterol hemifumarate has 10 hydrogen bond donor counts.
Xamoterol hemifumarate has 16 hydrogen bond acceptor counts.
Xamoterol hemifumarate has 18 rotatable bond counts.
The topological polar surface area of Xamoterol hemifumarate is 281Ų.