Norfenefrine

HCID 4538

Notes Reactions

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Basic information

CAS: 536-21-0
Standard SMILES: NCC(O)c1cccc(O)c1
InChIKey: LRCXRAABFLIVAI-UHFFFAOYSA-N
Molecular formula: C8H11NO2
Average molar mass: 153.18 g/mol
Monoisotopic mass: 153.07897859

Names & identifiers

Preferred name: Norfenefrine
IUPAC: 3-(2-amino-1-hydroxyethyl)phenol
English name: norfenefrine
Molecular formula: C8H11NO2
Molecular weight: 153.18

Names & synonyms

NorfenefrineNorphenylephrine3-(2-Amino-1-hydroxyethyl)phenol536-21-0m-OctopamineNorfenefrinaNorfenefrinumm-Hydroxyphenylethanolamine1-(m-Hydroxyphenyl)-2-aminoethanol(+-)-NorphenylephrineWV569 FREE BASED2P3M6SRN5

Show more names

DL-NorphenylephrineNormetolNormezatonMetacardiolBrn 1211018MetaoctopamineDL-m-OctopamineNORFENEFRINEBASE

WV-569 FREE BASEDTXSID30483143-octopamineRefChem:854724DTXCID1028289C01CA05alpha-(aminomethyl)-3-hydroxybenzyl alcohol208-626-8

Database identifiers

CAS: 536-21-0
PubChem CID: 4538
DTXSID: DTXSID3048314
ChEMBL: CHEMBL358040
ChEBI: CHEBI:134779
UNII: D2P3M6SRN5
EC Number: 208-626-8
Nikkaji: J6.350I

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 119

Physicochemical properties

Melting point: 75 · 75-77 °C
Boiling point: 276.1 °C · 276.1°C (rough estimate)
Density: 1.1577 · 1.1577 (rough estimate)
refractive index: 1.501 · 1.5010 (estimate)
pka: 8.67 · pKa 8.67(H2O,t undefined,I undefined) (Uncertain)
EWG's Food Scores: 1 · 1
FDA UNII: 2 P3M6SRN5 · D2P3M6SRN5
ATC code: 1 CA05 · C01CA05
Toxicity: 50 oral · LD50 oral in rat: 390mg/kg

Safety & regulation

Safety data

Toxicity: LD50 oral in rat: 390mg/kg

Chemistry & industry

Pharmacology

ATC Code · 2 items

C - Cardiovascular system；C01 - Cardiac therapy；C01C - Cardiac stimulants excl. cardiac glycosides；C01CA - Adrenergic and dopaminergic agents；C01CA05 - Norfenefrine

QC - Cardiovascular system；QC01 - Cardiac therapy；QC01C - Cardiac stimulants excl. cardiac glycosides；QC01CA - Adrenergic and dopaminergic agents；QC01CA05 - Norfenefrine

MeSH Pharmacological ClassificationDrugs that selectively bind to and activate alpha adrenergic receptors.