| Phytochemical Name : Atropine |
| PCNDIDA0230 |
| Pubchem CID : 174174 |
| Molecular formula: C17H23NO3 |
| Canonical SMILES : CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
Synonymes : ATROPINE|dl-Hyoscyamine|51-55-8|Tropine tropate|Atropen|Atropin|dl-Tropyltropate|Atropinol|Eyesules|Isopto-atropine|Troyl tropate|hyoscyamine|Atropina|Atropin-flexiolen|(+,-)-Tropyl tropate|Atropin [German]|Atropina [Italian]|(+-)-hyoscyamine|Tropine, tropate (ester)|(+-)-atropine|Tropic acid, ester with tropine|(+/-)-Atropine|(+/-)-Hyoscyamine|CCRIS 3080|DL-Tropyl tropate|Atropine (USP)|Atropine [BAN]|Atropine sulfate|Isopto Atropine|Tropic acid, 3-alpha-tropanyl ester|Belladenal|Atropair|Atropinum|Atrosulf|Cytospaz|Minims|Urised|Minims Atropine|Atropine Care|HSDB 2199|Neo-Diophen|Ocu-Tropine|DL-Tropanyl 2-hydroxy-1-phenylpropionate|I-Tropine|Atropen (TN)|2-Phenylhydracrylic acid 3-alpha-tropanyl ester|Atropt|L-Hyoscyamine|Protamine & Atropine|AI3-60219|Atropine [USP:BAN]|beta-Phenyl-gamma-oxypropionsaure-tropyl-ester [German]|(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|EINECS 200-104-8|Tropine (+/-)-tropate|atropinum sulphuricum|8-Methyl-8-azabicyclo[3.2.1]oct-3-yl tropate|Atropine Sulfate S.O.P.|Cystospaz|Hyospaz|Hyosyne|Levbid|Levsin|UNII-7C0697DR9I|l-Atropine|MLS000069795|Tropine tropate;DL-Hyoscyamine|Symax Duotab|1-Hyoscyamine|DTXSID4020113|Levsinex SR|CHEBI:16684|Levsin SL|Symax SL|Symax SR|7C0697DR9I|8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate|[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 3-hydroxy-2-phenyl-propanoate|Hyoscyamine [BAN]|alpha-(Hydroxymethyl)benzeneacetic acid 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|R-(+)-Hyoscyamine|atropinium cation|Benzeneacetic acid, alpha-(hydroxymethyl)-8-methyl-8-azabicyclo(3,2,1)oct-3-yl ester, endo-(+-)-|NCGC00017333-03|SMR000058248|1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester)|atropinium(1+)|Hyoscyamine sulfate|beta-Phenyl-gamma-oxypropionsaure-tropyl-ester|beta-Phenyl-gamma-oxypropionsaeure-tropyl-ester|AB00694549-11|[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate|Hyocyamine|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-(+-)-|DTXCID20113|l-Hyopscyamine|L-Hyoscamine|Tropine, (-)-tropate (ester)|C17H23NO3|Hyoscyamine, l-|Hyoscyamine (D)-|Hyoscyamine (USP)|1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester) (8CI)|8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropionate|Peptard|b eta-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester|CAS-51-55-8|Tropic acid, (-)-, ester with tropine|Benzeneacetic acid, alpha-(hydroxymethyl)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+-)-|Tropine, (-)-tropate|NP-010662|Atropine, 3(S)-endo-Isomer|5908-99-6|HSDB 3552|HSDB 3553|Buwecon|Donnamar|Gastrosed|ropine tropate|Symax|(3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL TROPATE|d1-hyoscyamine|EINECS 202-933-0|a-Tropine|(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate|BRN 0091258|Hyospasmol (TN)|Cystospaz (TN)|NCGC00159345-02|3-tropoyloxytropane|Donnamar (TN)|Neoquess (TN)|Anaspaz (TN)|Buwecon (TN)|Levbid (TN)|Levsin (TN)|HyoMax (TN)|Symax (TN)|NuLev (TN)|H 9002|ATROPINE [MI]|ATROPINE [VANDF]|ATROPINUM [HPUS]|(3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane|Opera_ID_1088|ATROPINE [MART.]|ATROPINE [USP-RS]|ATROPINE [WHO-DD]|bmse000649|D0RD5W|D0RG3O|1alphaH,5alphaH-Tropan-3alpha-ol (-)-tropate (ester)|SCHEMBL2812|Atropine, analytical standard|GTPL320|1-alpha H,5-alpha H-tropan-3-alpha-ol (+-)-tropate (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]|ATROPINE [USP MONOGRAPH]|ATROPINE, (+/-)-|ACon1_000046|CHEBI:78734|DUODOTE COMPONENT ATROPINE|(1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate|ATROPINE ((+/-)-)|Atropine, >=95.0% (NT)|ATROPINE COMPONENT OF ATNAA|BDBM200229|DTXSID601141720|HMS2089A16|HMS2231G17|HMS3259M13|(alpha S)-alpha-(Hydroxymethyl)benzeneacetic acid (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester|alpha-(Hydroxymethyl)benzeneacetic acid (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester|BCP15060|Benzeneacetic acid, .alpha.-(hydroxymethyl)- 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester endo-(.+-.)-|Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [3(S)-endo]-|Benzeneacetic acid, .alpha.-(hydroxymethyl)-, endo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (.alpha.S)-|Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(R)-endo)-|HY-B1205|OIN|ATROPINE COMPONENT OF DUODOTE|Atropine, >=99% (TLC), powder|Tox21_110816|Tox21_111590|Tox21_200487|(-)-Tropic Acid Ester with Tropine|BDBM50403547|s4713|AKOS015955538|CS-4834|DB00572|LS-7203|NC00493|OR22908|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-(+-)-|Atropine, meets USP testing specifications|C1504|FT-0627165|C01479|D00113|Q26272|AB00694549-12|AB00694549_14|rac-tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate|BRD-A27290375-001-01-8|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)|(3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl alpha-(hydroxymethyl)benzeneacetate|[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate|[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate|alpha-Hydroxymethylphenylacetic acid (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-yl ester|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|(1beta,3alpha,5beta)-3-[(3-Hydroxy-1-oxo-2-phenylpropyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane|16175-85-2|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)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+/-)-|Benzeneacetic acid, alpha-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester endo-(+-)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.850 |
| Log Po/w (XLOGP3) : 1.830 |
| Log Po/w (WLOGP) : 1.550 |
| Log Po/w (MLOGP) : 2.020 |
| Log Po/w (SILICOS-IT) : 2.030 |
| Consensus Log Po/w : 2.060 |

