Compound: RefChem:1092872
SMILES: O=C(O[C@@H]1C[C@H]2N(C)[C@@H](C1)CC2)C(c3ccccc3)CO
InChIKey: RKUNBYITZUJHSG-SPUOUPEWSA-N
Synonyms: RefChem:1092872, Npc209773, ATROPINE, dl-Hyoscyamine, 51-55-8, Atropen, Atropin, Tropine tropate, dl-Tropyltropate, Atropinol, Eyesules, Isopto-atropine, Troyl tropate, Atropina, Atropin-flexiolen, (+,-)-Tropyl tropate, Atropin [German], Atropina [Italian], hyoscyamine, (+/-)-Atropine, (+-)-hyoscyamine, Tropine, tropate (ester), (+-)-atropine, Tropic acid, ester with tropine, (+/-)-Hyoscyamine, CCRIS 3080, Atropine (USP), Tropic acid, 3-alpha-tropanyl ester, L-Hyoscyamine, Atropinum, HSDB 2199, DL-Tropanyl 2-hydroxy-1-phenylpropionate, 3-tropoyloxytropane, 2-Phenylhydracrylic acid 3-alpha-tropanyl ester, AI3-60219, beta-Phenyl-gamma-oxypropionsaure-tropyl-ester [German], DL-Tropyl tropate, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate, 1alphaH,5alphaH-Tropan-3alpha-ol (+-)-tropate (ester), beta-Phenyl-gamma-oxypropionsaeure-tropyl-ester [German], (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate, tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate, 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl tropate, MLS000069795, Tropine tropate;DL-Hyoscyamine, DTXSID4020113, 7C0697DR9I, 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate, [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate, [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 3-hydroxy-2-phenyl-propanoate, alpha-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, Benzeneacetic acid, alpha-(hydroxymethyl)-8-methyl-8-azabicyclo(3,2,1)oct-3-yl ester, endo-(+-)-, NCGC00017333-03, SMR000058248, AB00694549-11, endo-(+/-)-alpha-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, 16175-85-2, Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+-)-, DTXCID20113, (-)-Hycosamine, 5908-99-6, MFCD00022622, (1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate, (1R,3S,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL 3-HYDROXY-2-PHENYLPROPANOATE, [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate, CAS-51-55-8, Atropen (TN), Protamine & Atropine, Atropine [USP:BAN], EINECS 200-104-8, Tropine (+/-)-tropate, Pseudoatropine, ropine tropate, UNII-7C0697DR9I, (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL TROPATE, (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate, NCGC00159345-02, Atropine (Standard), 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester), ATROPINE [MI], ATROPINE [VANDF], ATROPINUM [HPUS], Opera_ID_1088, ATROPINE [MART.], HA7DL7YA9K, beta-Phenyl-gamma-oxypropionsaure-tropyl-ester, ATROPINE [USP-RS], ATROPINE [WHO-DD], bmse000649, beta-Phenyl-gamma-oxypropionsaeure-tropyl-ester, SCHEMBL2812, Atropine, analytical standard, GTPL320, Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, MLS001148094, MLS002695888, ATROPINE [GREEN BOOK], ATNAA COMPONENT ATROPINE, ATROPINE [EP IMPURITY], ATROPINE [ORANGE BOOK], CHEMBL254656, CHEMBL475124, CHEMBL517712, cid_174174, MEGxp0_001878, Atropine ((+/-)-Hyoscyamin), ATROPINE [EP MONOGRAPH], (+/-)-Tropoyltropan-3beta-ol, ATROPINE [USP MONOGRAPH], ATROPINE, (+/-)-, Ipratropium Bromide Impurity 52, SCHEMBL26698079, ACon1_000046, CHEBI:16684, CHEBI:78734, DUODOTE COMPONENT ATROPINE, HY-B1205R, ATROPINE ((+/-)-), Atropine, >=95.0% (NT), RKUNBYITZUJHSG-PJPHBNEVSA-N, BDBM200229, DTXSID601141720, HMS2089A16, HMS2231G17, HMS3259M13, HY-B1205, MSK10189, Atropine, >=99% (TLC), powder, Tox21_110816, Tox21_111590, Tox21_200487, 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester) (8CI), BDBM50403547, s4713, SBB005985, AKOS015955538, CS-4834, DB00572, FA32433, NC00493, NCGC00017333-02, NCGC00017333-04, NCGC00017333-05, NCGC00017333-06, NCGC00142514-01, NCGC00142514-03, NCGC00258041-01, NCGC00385525-01, AS-56020, Benzeneacetic acid, alpha-(hydroxymethyl)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+-)-, ST057178, Atropine, meets USP testing specifications, C1504, C01479, D00113, Q26272, AB00694549-12, AB00694549_14, Atropine; Homatropine Hydrobromide EP Impurity D, rac-tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate, BRD-A27290375-001-01-8, BRD-A27290375-065-01-3, BRD-A27290375-330-01-1, Atropine, European Pharmacopoeia (EP) Reference Standard, HOMATROPINE HYDROBROMIDE IMPURITY D [EP IMPURITY], 1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL (+/-)-TROPATE (ESTER), (1R,3R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2RS)-3-hydroxy-2-phenylpropanoate, (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl alpha-(hydroxymethyl)benzeneacetate, (3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl alpha-(hydroxymethyl)benzeneacetate, (3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl I+/--(hydroxymethyl)benzeneacetate, (S)-(1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate, [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate, Atropine for peak identification, European Pharmacopoeia (EP) Reference Standard, rac-(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate, BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-(3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, ENDO-(+/-)-, Benzeneacetic acid, alpha-(hydroxymethyl)- (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+/-)-
Theoretical properties:
molecular_formula: C17H23NO3
molecular_weight: 289.4 g/mol
exact_mass: 289.16779360 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 21
topological_polar_surface_area: 49.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Atropine is a racemate composed of equimolar concentrations of (S)- and (R)-atropine. It is obtained from deadly nightshade (Atropa belladonna) and other plants of the family Solanaceae. It has a role as an antidote to sarin poisoning, a oneirogen, a bronchodilator agent, an anti-arrhythmia drug, a muscarinic antagonist, a parasympatholytic, a mydriatic agent, an anaesthesia adjuvant and a plant metabolite. It contains a (S)-atropine and a (R)-atropine.
chebi: A  racemate composed of equimolar concentrations of (<i>S</i>)- and (<i>R</i>)-atropine . It is obtained from deadly nightshade (<em>Atropa belladonna</em>) and other plants of the family Solanaceae.
chembl: ATROPINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.