Dobutamine lactobionate
4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
Also Known As: Dobutamine lactobionate|ACMC-20m7cb|AC1L1TXQ|Dobutamine lactobionate [USAN]|C18H23NO3 X C12H22O12|4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol; (2R,3S,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hexanoic acid|4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol; 2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
| Molecular Formula | C30H45NO15 |
|---|---|
| Molecular Weight | 659.27893 g/mol |
| LogP | -2.71 |
| Topological Polar Surface Area | 290.32 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Exact Mass | 659.27893 |
| Heavy Atoms | 46 |
| Complexity | 1183.4 |
Chemical Identifiers
| CAS Number | 104564-71-8 |
|---|---|
| SMILES | CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O.C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O |
Product Overview
Dobutamine lactobionate (CAS 104564-71-8), with molecular formula C30H45NO15 and molecular weight 659.27893 g/mol. IUPAC: 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid.
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