bmse000316 Epinephrine at BMRB

Epinephrine

Vasoconstrictine; EPINEPHRINE; Supracapsulin; Hemostasin; Renostypricin; Epitrate; 1,2-Benzenediol, 4-(1-hydroxy-2-(methylamino)ethyl)-; (-)-(R)-Epinephrine; L-Adrenaline Base; D-Adrenaline; Noradrenalin

Molecular Formula: C9 H13 N O3
Natural Isotopic Abundance Mass: 183.20442
Mono-Isotopic Molecular Masses: C12N14: 183.0895432888; C13N14: 192.119736829; C12N15: 184.086578182; C13N15: 193.1167717222

Epinephrine

InCHi String:
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1

canonical SMILES:
CNCC(C1=CC(=C(C=C1)O)O)O
isomeric SMILES:
CNC[C@@H](C1=CC(=C(C=C1)O)O)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
4-[(1R)-1-hydroxy-2-methylaminoethyl]benzene-1,2-diol

PUBCHEM iupac TRADITIONAL NAME
4-[(1R)-1-hydroxy-2-methylamino-ethyl]pyrocatechol

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol

PubChem Substance (SID):   85165118   8144253   26754418
PubChem Compound (CID):   5816
KEGG: Compound ID   D00095
CAS Registry IDs:   51028-73-0   51-43-4
PDB Chemical Component   ALE
Miscellaneous Databases and IDs:   Thomson Pharma 00024574   CCRIS 4812   ChemIDplus 000051434   ChEBI CHEBI:28918   DiscoveryGate 5816   EINECS 200-098-7   DrugBank APRD00450   NCGC NCGC00142615-03   HSDB 4289   Sigma-Aldrich E4250_SIGMA   NIAID 122802

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.