Compound: octopamine
SMILES: Oc1ccc(C(O)CN)cc1
InChIKey: QHGUCRYDKWKLMG-UHFFFAOYSA-N
Synonyms: octopamine, 4-(2-Amino-1-hydroxyethyl)phenol, Norsynephrine, 104-14-3, Norsympatol, Octopamina, octopaminum, ND 50, 1-(p-Hydroxyphenyl)-2-aminoethanol, alpha-(Aminomethyl)-p-hydroxybenzyl alcohol, alpha-(Aminoethyl)-4-hydroxybenzenemethanol, 4-Octopamine, DTXSID7043873, ND-50, Benzenemethanol, alpha-(aminomethyl)-4-hydroxy-, 14O50WS8JD, NSC-757399, DTXCID5023873, CHEBI:17134, para-Octopamine, 1-(4-Hydroxyphenyl)-2-aminoethanol, Octopamine 1531, RefChem:56540, C01CA18, 203-179-5, Norsympathol, Norphen, Norden, Analet, Octopamine [INN], Paraoxyphenyl aminoethanol, WIN 5512, p-Hydroxyphenylethanolamine, dl-Octopamine, alpha-(aminomethyl)-4-hydroxybenzenemethanol, Octapamine, p-Norsynephrin, NCGC00015760-06, Octopaminum [Latin], Octopamina [Spanish], .alpha.-(Aminomethyl)-p-hydroxybenzyl alcohol, (+/-)-octopamine, Octopaminum [INN-Latin], Octopamina [INN-Spanish], Octopamin, 2-amino-1-(4-hydroxyphenyl)ethan-1-ol, beta-hydroxytyramine, CAS-104-14-3, alpha-Aminoethyl-4-hydroxybenzylalkohol, alpha-(Aminoethyl)-p-hydroxybenzyl alcohol, benzene, 1-(2-amino-1-hydroxy)ethyl-4-hydroxy-, EINECS 203-179-5, BRN 1211019, UNII-14O50WS8JD, 4-(2-amino-1-hydroxyethyl)phenol;hydrochloride, 2-Amino-1-(4-hydroxyphenyl)ethanol, 4-(2-Amino-1-hydroxy-ethyl)phenol, 1,3-Benzenediol,4-(2-aminoethyl)-, Spectrum_000201, OCTOPAMINE [MI], Prestwick0_000949, Prestwick1_000949, Prestwick2_000949, Prestwick3_000949, Spectrum2_000222, Spectrum3_000275, Spectrum4_000402, Spectrum5_001543, (.+/-.)-Octopamine, Benzyl alcohol, alpha-(aminomethyl)-p-hydroxy-, OCTOPAMINE [MART.], OCTOPAMINE [WHO-DD], Lopac0_000932, SCHEMBL22605, BSPBio_000918, BSPBio_001750, KBioGR_000664, KBioSS_000681, 4-13-00-02656 (Beilstein Handbook Reference), CHEMBL53929, DivK1c_000245, SPBio_000263, SPBio_003077, BPBio1_001010, cid_102484, GTPL2149, SCHEMBL6455311, BDBM32764, KBio1_000245, KBio2_000681, KBio2_003249, KBio2_005817, KBio3_001250, (A+/-)-Octopamine hydrochloride, NINDS_000245, ALBB-025791, HY-B0528, Tox21_110215, BBL009983, EBC-44074, MFCD00044589, PDSP1_001544, PDSP2_001528, SBB072689, STK801377, 4-(2-Amino-1-hydroxyethyl)phenol #, AKOS000123349, Tox21_110215_1, CCG-205013, DB13251, NSC 757399, SDCCGMLS-0066599.P001, SDCCGSBI-0050906.P004, IDI1_000245, SMP1_000221, 4-[(rs)-2-amino-1-hydroxyethyl]phenol, NCGC00015760-03, NCGC00015760-05, NCGC00015760-07, NCGC00015760-08, NCGC00015760-09, NCGC00015760-10, NCGC00015760-12, NCGC00015760-14, NCGC00015760-23, NCGC00015760-24, NCGC00091918-03, NCGC00091918-04, 4-[(1rs)-2-amino-1-hydroxyethyl]phenol, 4-[(IRS)-2-amino-1-hydroxyethyl]phenol, SBI-0050906.P003, DB-040514, AB00053571, ST45028935, 4-(2-amino-1-hydroxy-ethyl)phenol;hydrochloride, AB00053571-13, AB00053571_14, AB00053571_15, EN300-1264124, 4-(2-azanyl-1-oxidanyl-ethyl)phenol;hydrochloride, Benzenemethanol, .alpha.-(aminomethyl)-4-hydroxy-, Benzyl alcohol, .alpha.-(aminomethyl)-p-hydroxy-, Q424979, BRD-A14240607-003-24-6, BRD-A14240607-003-25-3, BRD-A14240607-003-26-1, BRD-A14240607-003-27-9, (.+/-.)-.alpha.-(Aminomethyl)-p-hydroxybenzyl alcohol, 64C59BC0-9C98-49EF-A853-8849F02ABAAC, F2173-0210, RACTOPAMINE HYDROCHLORIDE SUSPENSION IMPURITY, OCTOPAMINE- [USP IMPURITY]
Theoretical properties:
molecular_formula: C8H11NO2
molecular_weight: 153.18 g/mol
exact_mass: 153.078978594 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 11
topological_polar_surface_area: 66.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Octopamine is a member of the class of phenylethanolamines that is phenol which is substituted at the para- position by a 2-amino-1-hydroxyethyl group. A biogenic phenylethanolamine which has been found to act as a neurotransmitter, neurohormone or neuromodulator in invertebrates. It has a role as a neurotransmitter. It is a member of phenylethanolamines and a member of tyramines. It is a conjugate base of an octopaminium.
chebi: A member of the class of phenylethanolamines that is phenol which is substituted at the para- position by a 2-amino-1-hydroxyethyl group. A biogenic phenylethanolamine which has been found to act as a neurotransmitter, neurohormone or neuromodulator in invertebrates.
chembl: OCTOPAMINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Octopamine (OA), also known as para-octopamine and norsynephrine among synonyms, is an organic chemical closely related to norepinephrine, and synthesized biologically by a homologous pathway. Octopamine is often considered the major "fight-or-flight" neurohormone of invertebrates. Its name is derived from the fact that it was first identified in the salivary glands of the octopus.
In many types of invertebrates, octopamine is an important neurotransmitter and hormone. In protostomes—arthropods, molluscs, and several types of worms—it substitutes for norepinephrine and performs functions apparently similar to those of norepinephrine in mammals, functions that have been described as mobilizing the body and nervous system for action. In mammals, octopamine is found only in trace amounts (i.e., it is a trace amine), and no biological function has been solidly established for it. It is also found naturally in numerous plants, including bitter orange.
Octopamine has been sold under trade names such as Epirenor, Norden, and Norfen for use as a sympathomimetic drug, available by prescription.