Basic information
- CAS
74812-63-8- Standard SMILES
C[C@@H](N)[C@@H](O)c1ccc(O)c(O)c1- InChIKey
GEFQWZLICWMTKF-MLUIRONXSA-N- Molecular formula
- C9H13NO3
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Names & identifiers
- Preferred name
- 1,2-Benzenediol, 4-[(1R,2S)-2-amino-1-hydroxypropyl]-, rel-
- IUPAC
- 4-[(1S,2R)-2-amino-1-hydroxypropyl]benzene-1,2-diol
- English name
- 4-[(1R,2S)-2-amino-1-hydroxypropyl]benzene-1,2-diol
- Molecular formula
- C9H13NO3
- Molecular weight
- 183.20442
Names & synonyms
NCGC00163349-011,2-Benzenediol, 4-[(1R,2S)-2-amino-1-hydroxypropyl]-, rel-orb1943113CHEMBL1160982DTXSID501378362HY-B1708CS-0013709T816524-[(1R,2S)-2-amino-1-hydroxypropyl]benzene-1,2-diol
Database identifiers
- CAS
74812-63-8- PubChem CID
- 29271
- DTXSID
DTXSID501378362- ChEMBL
CHEMBL1160982- Nikkaji
- J221.503I
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- FDA UNII
- 81 X549E70 · R81X549E70
Chemistry & industry
Applications
UsesNordefrin ((±)-Cobefri), a Norepinephrine (HY-13715) derivative, is a vasoconstrictor agent[1].
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Alpha-methylnoradrenaline is a catecholamine in which the 2-aminoethyl group is substituted with a hydroxy group at C-1 and a methyl group at C-2, with configurations 1R,2S. A metabolite of alpha-methyl-L-dopa, it is an alpha2-adrenergic agonist and acts as a topical nasal decongestant and vasoconstrictor, most often used in dentistry. It has a role as an alpha-adrenergic agonist, a vasoconstrictor agent and a nasal decongestant.
Related reactions
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Compound notes
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