Levdobutamine

Base Information

• Chemical Name: Levdobutamine
• CAS No.: 61661-06-1
• Molecular Formula: C18H23NO3
• Molecular Weight: 301.38
• UNII: 0PE6UXH3WG
• DSSTox Substance ID: DTXSID90210671
• Nikkaji Number: J239.297F
• Wikidata: Q27126902
• NCI Thesaurus Code: C166431
• Pharos Ligand ID: 733K1G71KJAM
• Metabolomics Workbench ID: 60802
• ChEMBL ID: CHEMBL1367478
• Mol file: 61661-06-1.mol

Synonyms:Levdobutamine;Levdobutamine [INN];61661-06-1;UNII-0PE6UXH3WG;0PE6UXH3WG;(S)-dobutamine;LY206243;CHEBI:59805;LY-206243;(S)-4-(2-((4-(4-hydroxyphenyl)butan-2-yl)amino)ethyl)benzene-1,2-diol;(S)-4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol;4-(2-{[(2SS)-4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol;(S)-3,4-dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-beta-phenylethylamine;1,2-Benzenediol, 4-[2-[[(1S)-3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-;Tocris-0515;Lopac-D-0676;CHEMBL1367478;DTXSID90210671;4-[2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,2-diol;AKOS015955972;NCGC00015321-01;NCGC00015321-02;NCGC00016857-01;NCGC00024629-01;CAS-49745-95-1;Q27126902;4-(2-(((S)-3-(P-HYDROXYPHENYL)-1-METHYLPROPYL)AMINO)ETHYL)PYROCATECHOL

Chemical Property of Levdobutamine

Chemical Property:

• PSA: 72.72000
• LogP: 3.34770
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 301.16779360
• Heavy Atom Count: 22
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

(S)-4-(2-((4-(4-HYDROXYPHENYL)BUTAN-2-YL)AMINO)ETHYL)BENZENE-1,2-DIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O
• Isomeric SMILES: C[C@@H](CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O