WHC is still in active development. Read this to understand our approach.
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isomerdesign

Hyoscyamine

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isomerdesign

Atropine

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L-Hyoscyamine

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Atropine

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(+)-Hyoscyamine

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Atropine

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Atropine

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Atropine

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Hyoscyamine

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Data

InChI: InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3

Synonyms: l-Atropine,51-55-8,(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)(2R)-3-hydroxy-2-phenylpropanoate,NCGC00017333-03,alpha-Hydroxymethylphenylacetic acid (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-yl ester,bmse000649, Minims Atropine, Dl-Hyoscyamine,Tropic acid, 3-alpha-tropanyl ester,Atropine [USP:BAN],EINECS 202-933-0,Hyoscyamine, l-,HMS3712P07,NSC-757064,L-TROPIC ACID ESTER WITH TROPINE,hyoscyamine, Atropinium cation,CHEBI:78734,AS-56020,Atropine (USP),NCGC00016359-01,CHEMBL254656,SR-01000799139,DL-Tropanyl 2-hydroxy-1-phenylpropionate,ZINC100009280, 2-Phenylhydracrylic acid 3-alpha-tropanyl ester,CHEMBL1379091,Hyoscyamine dried down 100 microg/mL,1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester),(+/-)-Hyoscyamine,AKOS015955538,Eyesules,FT-0627165,2arm,SR-01000799139-2, Atropin-flexiolen, dl-Tropyltropate, Dl-Tropyltropate,L-Tropine tropate, Beta-Phenyl-gamma-oxypropionsaeure-tropyl-ester [German],BRD-A27290375-001-01-8,(3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl alpha-(hydroxymethyl)benzeneacetate,Tropine tropate,Isopto-atropine, Hyoscyamine (L),(1s,5r)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2s)-3-hydroxy-2-phenylpropanoate, (S)-(-)-Hyoscyamine,Hyoscyamine (D)-,ATROPINE, (R)-,ATROPINE [USP-RS], DL-Tropyl tropate,Hyoscyaminum,Hyosyne,1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL (+/-)-TROPATE (ESTER), (+,-)-Tropyl tropate,[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate,tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate,ATROPINE [WHO-DD],tropan-3alpha-yl (2R)-3-hydroxy-2-phenylpropanoate,CCG-220233, [(1S,5R)-8-methyl-8-azabicyclo[321]oct-3-yl] 3-hydroxy-2-phenyl-propanoate, Duboisine,NCGC00017333-02,ZINC100009278, 1alphaH,5alphaH-Tropan-3alpha-ol (+-)-tropate (ester), Atropine Care,NCGC00258041-01,HYOSCYAMINE [WHO-DD],HY-B1205,HSDB 2199,Atropine, analytical standard,Atropine, (s)-,UNII-7C0697DR9I,Levsin SL,UNII-PX44XO846X,(-)-Hyoscyamine, Hyoscyamine sulfate,CHEMBL475124,(2S)-2-Phenyl-3-hydroxypropionic acid (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3beta-yl ester, [(1R,5S)-8-methyl-8-azabicyclo[321]octan-3-yl] 3-hydroxy-2-phenylpropanoate,AKOS015896332, NP-010662,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate,HSDB 3552,Atropine for peak identification, European Pharmacopoeia (EP) Reference Standard,ATROPINE [USP MONOGRAPH],8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate,CAS-101-31-5, (3-exo)-8-methyl-8-azabicyclo[321]octan-3-ol,NCGC00017333-06,C01479,Tropine-L-tropate,SCHEMBL2812,D00147, Atrosulf,Atropina,DTXSID80889335,ZINC56,1alphaH,5alphaH-Tropan-3alpha-ol (-)-tropate (ester),BRN 0091258,CHEMBL1331216,beta-Phenyl-gamma-oxypropionsaeure-tropyl-ester [German],DSSTox_RID_75375, Hyocyamine,AS-75498,(1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate,Tropine, (-)-tropate (ester),NCGC00017333-01,Prestwick0_000233,CHEBI:92712, (3-endo)-8-methyl-8-azabicyclo[321]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate, 51-55-8,alpha-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester,NCGC00017333-04,Atropinum,ZINC100271918,[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenyl-propanoate,BRD-A27290375-330-01-1,l-Hyopscyamine,Tox21_111590,AB00694549_14,Prestwick_273, Atropina [Italian], Atropine [BAN],OIN,NCGC00159345-02,UNII-V3203SI72M,[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate,AB00694549-12,HOMATROPINE HYDROBROMIDE IMPURITY D [EP IMPURITY], Belladenal, Atropinol,(+)-Atropine, Hyoscyamine, l-,(2S)-3-hydroxy-2-phenylpropanoic acid [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester,dl-Tropyltropate,[3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-3-hydroxy-2-phenylpropanoate,BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-(3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, OR22908,7C0697DR9I,dl-Hyoscyamine,13269-35-7,C1504, Bellergal-S,NCGC00179608-01,BRD-K40530731-001-11-6, (2S)-(1R,5S)-8-Methyl-8-azabicyclo[321]octan-3-yl 3-hydroxy-2-phenylpropanoate,CHEMBL2449003,Atropine solution,Atropine, European Pharmacopoeia (EP) Reference Standard,16175-85-2, Tropine, (-)-tropate, CHEBI:17486,ZINC12358661,ACon1_000046,Daturin,Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester,Atropine, meets USP testing specifications,Benzeneacetic acid, alpha-(hydroxymethyl)-8-methyl-8-azabicyclo(3,2,1)oct-3-yl ester, endo-(+-)-,Hyoscyamine (L),BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (.ALPHA.R)-, Cytospaz,912642-93-4,HMS2231N11,V3203SI72M,PX44XO846X, Levsinex SR, Anaspaz, Levbid,ATROPINE [EP MONOGRAPH],(S)-(-)-Hyoscyamine,AC-34425,NCGC00015026-01,Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-, Atropin,MLS002154242,Atropine dried down 100 microg/mL, Atropine (USP),ropine tropate,Q27121382,Atropin-flexiolen,AI3-60219, Tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate,NSC 757064,ATROPINE [MI],Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+-)-, Isopto Atropine, Beta-Phenyl-gamma-oxypropionsaure-tropyl-ester [German],BSPBio_000305,CHEMBL3084476,Atropine 100 microg/mL in Acetonitrile, (3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[321]octane,Tropic acid, (-)-, ester with tropine,ATROPINE COMPONENT OF DUODOTE, HSDB 2199,J-000364,Hyocyamine, (3-endo)-8-methyl-8-azabicyclo[321]oct-3-yl 3-hydroxy-2-phenylpropanoate,beta-Phenyl-gamma-oxypropionsaure-tropyl-ester [German],Atropine 1.0 mg/ml in Acetonitrile,Levsin,(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate,Tropine, tropate (ester),ATNAA COMPONENT ATROPINE,HYOSCYAMINE [VANDF],HSDB 3553,Tropine, (-)-tropate, Atropt,(3beta)-Hyoscyamine,HMS1568P07,Bellafoline,Levsinex SR,rac-tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate,Q26272,NCGC00015026-02,Hyoscyamine (USP),ATROPINE COMPONENT OF ATNAA,HYOSCYAMINE [MI], Protamine & Atropine, Atropine Sulfate SOP, Endo-(+/-)-alpha-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[321]oct-3-yl ester,HYOSCYAMINE, D-, Tropic acid, ester with tropine,DTXSID201045952,(leo)-hyoscyamine,DTXSID601141720,ATROPINE [ORANGE BOOK],Prestwick2_000233, CCRIS 3080,ENDO-ATROPINE,CHEMBL517712,(+/-)-Atropine,CHEBI:48882,Daturine,NCGC00142514-03, (1R,5S)-8-METHYL-8-AZABICYCLO[321]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE,beta-Phenyl-gamma-oxypropionsaure-tropyl-ester,d-hyoscyamine,NCGC00142514-01,Levbid,DL-Hyoscyamine,Benzeneacetic acid, alpha-(hydroxymethyl)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+-)-,MFCD32859315,CAS-51-55-8, (S)-Atropine, 101-31-5,Symax SL,s4713,GTPL320,(S)-Atropine,TNP00272,Hyoscyamine [USP:BAN],(+,-)-Tropyl tropate,Atropen (TN),ATROPINE [EP IMPURITY],(R)-atropine,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate,Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(R)-endo)-,Tox21_200487,(leo)-atropine,ATROPINE [MART.],ATROPINUM [HPUS],MEGxp0_001878,101-31-5,Lopac-A-0257,DB00572, 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester),DSSTox_GSID_20113,Symax Duotab,D00113, Atropen (TN), hyoscyamine,Q27464129,CS-4834,ATROPINE [VANDF],ATROPINE,BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, 8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (3(R)-ENDO)-,Tox21_110816,(+-)-atropine, DL-Tropanyl,NCGC00385525-01,HYOSCYAMINE [MART.],Hyospaz,HYOSCYAMINE [USP MONOGRAPH],MLS001148094,ATROPINE [GREEN BOOK],(S)-(leo)-hyoscyamine, Tropan-3beta-ol,(-)-Atropine, Troyl tropate,Cystospaz,DTXSID4020113,Hyoscyamine,DTXSID20941522, Eyesules,(+-)-hyoscyamine, UNII-PX44XO846X, 8-Methyl-8-azabicyclo[321]octan-3-yl 3-hydroxy-2-phenylpropionate,Troyl tropate, (-)-Hyoscyamine, Atropair,Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(S)-endo)-,MLS002695888,EINECS 200-104-8,(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl)3-hydroxy-2-phenyl propanoate,Prestwick3_000233, Tropanol,Atropina [Italian],Atropine, >=95.0% (NT), Atropin [German],Protamine & Atropine,Symax SR, Atropina,BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, ENDO-(+/-)-, 1alphaH,5alphaH-Tropan-3beta-ol, Tropan-3alpha-ol,NCGC00017333-05, (3-endo)-8-methyl-8-azabicyclo[321]octan-3-ol,tropan-3alpha-yl (2S)-3-hydroxy-2-phenylpropanoate,BDBM50497835,5-21-01-00235 (Beilstein Handbook Reference),Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (.alpha.S)-,Atropin,Tropic acid, ester with tropine,1alphaH,5alphaH-Tropan-3alpha-ol (+-)-tropate (ester),MLS000069795,ZINC100068360,R-(+)-Hyoscyamine,Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (alphaS)-,MLS002222193, (3-endo)-8-methyl-8-azabicyclo[321]oct-3-yl tropate,DUODOTE COMPONENT ATROPINE,Benzeneacetic acid, alpha-(hydroxymethyl)- (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester,endo-(+/-)-alpha-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester,SCHEMBL1649244, L-Tropine tropate, 8-Methyl-8-azabicyclo[321]oct-3-yl 3-hydroxy-2-phenylpropanoate,Benzeneacetic acid, a-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aS)-,[3(S)-endo]-a-(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-(+/-)-, 8-Methyl-8-azabicyclo[321]oct-3-yl tropate,Hyoscyamine, (+)-,(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate,Atropinol,SMR000718747,Tropine (+/-)-tropate,HMS2089A16,HYOSCYAMINUM [HPUS], PX44XO846X,rac-(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate,BDBM50403547, Minims, 1alphaH,5alphaH-Tropan-3alpha-ol,DL-Tropyl tropate,8-Methyl-8-azabicyclo[3.2.1]oct-3-yl tropate,CHEBI:16684,Atropine,(S)atropine,HYOSCYAMINE [HSDB],BRD-K40530731-001-02-5,(+)-HYOSCYAMINE,Lopac-H-9002, Atropen, Atropine sulfate,NC00493,(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, Neo-Diophen,SCHEMBL249586,[(1S,5R)-8-methyl-8-Azabicyclo[3.2.1]Oct-3-yl] (2S)-3-Hydroxy-2-Phenyl-Propanoate,SCHEMBL41316,Atropen,HYO,CHEBI:17486,Atropine, >=99% (TLC), powder, Tropic acid, 3-alpha-tropanyl ester,Q413762,BPBio1_000337, Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(321)oct-3-yl ester,MLS001304011,[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate,CHEMBL1234973, DL-Tropanyl 2-hydroxy-1-phenylpropionate,ATROPINE, (+/-)-,HMS3259M13,DSSTox_CID_113,[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate,1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester) (8CI),SMR000058248, [3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[321]oct-3-yl ester, D1-hyoscyamine,[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 3-hydroxy-2-phenyl-propanoate,[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate, Endo-8-methyl-8-azabicyclo[321]octan-3-ol, Urised,HMS2095P07,Prestwick1_000233,(3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL TROPATE,Atropin [German],(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate, Atropinium(1+),4247B,BDBM200229,(1beta,3alpha,5beta)-3-[(3-Hydroxy-1-oxo-2-phenylpropyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane,BDBM50469864,cid_174174,BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (.ALPHA.S)-,Duboisine,3-tropoyloxytropane,AKOS016843532,ATROPINE ((+/-)-), B eta-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[321]oct-3-yl ester,F14785, Isopto-atropine,L-Hyoscyamine,CCRIS 3080,Opera_ID_1088, I-Tropine,1-Hyoscyamine,SCHEMBL25020, Ocu-Tropine,AB00694549-11,beta-Phenyl-gamma-oxypropionsaeure-tropyl-ester,DB00424,2-Phenylhydracrylic acid 3-alpha-tropanyl ester, Daturine,[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate, (-)-Atropine, Tropine, tropate (ester), 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester) (8CI),HMS2231G17,L-Hyoscamine,BCP15060,C02046,SPBio_002226


Estimated data

Solubility: -2.08 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 39.3% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.