Basic information
- CAS
61661-06-1- Standard SMILES
C[C@@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1- InChIKey
JRWZLRBJNMZMFE-ZDUSSCGKSA-N- Molecular formula
- C18H23NO3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.1677936
Overview
(S)-dobutamine is the (S)-enantiomer of dobutamine. It is an enantiomer of a (R)-dobutamine.
Names & identifiers
- Preferred name
- Levdobutamine
- IUPAC
- 4-[2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol
Names & synonyms
Levdobutamine61661-06-1Levdobutamine [INN]UNII-0PE6UXH3WG0PE6UXH3WG(S)-dobutamine4-[2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diolLY206243LY-206243(S)-4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol4-(2-{[(2S)-4-(4-Hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol4-(2-{[(2SS)-4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol
Show more names
(S)-3,4-dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-beta-phenylethylamine1,2-Benzenediol, 4-[2-[[(1S)-3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-LevdobutaminaTocris-0515Lopac-D-0676(S)-4-(2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)benzene-1,2-diolorb1696512CHEMBL1367478
Database identifiers
- CAS
61661-06-1- PubChem CID
- 688441
- DTXSID
DTXSID90210671- ChEMBL
CHEMBL1367478- ChEBI
CHEBI:59805- UNII
- 0PE6UXH3WG
- Nikkaji
- J239.297F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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