Dobutamine lactobionate structure

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

CAS: 104564-71-8
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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