| 2D Structure | |
| CID | 154417 |
| Target | Chain A, Phospholipase A2 VRV-PL-VIIIa (Daboia russelii pulchella) , Chrm1 , Chrm2 , Chrm3 , Chrm4 , Chrm5 , CYP2C9 , CYP2D6 , CYP3A4 , DRD1 |
| IUPAC Name | [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate |
| 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/t13-,14+,15?,16-/m1/s1 |
| InChI Key | RKUNBYITZUJHSG-VFSICIBPSA-N |
| Canonical SMILES | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
| Isomeric SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3 |
| Molecular Formula | C17H23NO3 |
| Molecular Weight | 289.4 |
| synonyms | ['hyoscyamine', 'L-Hyoscyamine', '(-)-Atropine', '(S)-(-)-Hyoscyamine', 'Cystospaz', 'l-Atropine', '(S)-Atropine', 'Bellafoline', 'Hyoscyaminum', 'Atropine, (s)-', 'Tropine, (-)-tropate', 'Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (alphaS)-', 'PX44XO846X', 'Levsinex SR', 'CHEBI:17486', '[3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester', 'NSC-757064', 'Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (.alpha.S)-', 'tropan-3alpha-yl (2S)-3-hydroxy-2-phenylpropanoate', 'Hyospaz', 'Hyoscyamine, l-', 'Levsin SL', '(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate', 'BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (.ALPHA.S)-', 'Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-', 'Hyoscyamine [USP:BAN]', 'UNII-PX44XO846X', 'Hyoscyamin', 'Daturin', 'Atropine, 3(S)-endo-Isomer', 'HSDB 3552', 'Tropine-L-tropate', 'EINECS 202-933-0', 'HYOSCYAMINE [MART.]', '1alphaH,5alphaH-Tropan-3alpha-ol (-)-tropate (ester)', 'DTXSID80889335', 'DTXCID701028597', 'HYOSCYAMINE [USP MONOGRAPH]', 'NSC 757064', 'L-TROPIC ACID ESTER WITH TROPINE', '202-933-0', 'Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo3.2.1oct-3-yl ester, (.alpha.S)-', 'Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo3.2.1oct-3-yl ester, (alphaS)-', 'Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(S)-endo)-', '101-31-5', 'Daturine', '(-)-Hyoscyamine', 'Duboisine', 'L-Tropine tropate', 'Hyoscyamine (L)', 'ENDO-ATROPINE', '[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate', '1-Hyoscyamine', '(-)-Hycosamine', '(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE', '(2S)-3-hydroxy-2-phenylpropanoic acid [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester', 'l-Hyopscyamine', 'L-Hyoscamine', 'Hyosyne', 'Levbid', 'Symax Duotab', 'Symax SL', 'Symax SR', 'Tropic acid, (-)-, ester with tropine', 'Benzeneacetic acid, a-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aS)-', 'OIN', 'SMR000718747', 'Hyocyamine', 'Tropine, (-)-tropate (ester)', '(leo)-atropine', '(S)atropine', '2arm', '(leo)-hyoscyamine', '(-)-Hyoscyamin', 'HYO', 'Prestwick_273', 'Hyoscyamine (USP)', '(3beta)-Hyoscyamine', '(S)-(leo)-hyoscyamine', 'HYOSCYAMINE [MI]', 'Prestwick3_000233', 'L-Hyoscyamine (Standard)', 'HYOSCYAMINE [HSDB]', 'HYOSCYAMINE [VANDF]', 'HYOSCYAMINUM [HPUS]', 'SCHEMBL41316', 'BSPBio_000305', 'HYOSCYAMINE [WHO-DD]', 'MLS001304011', 'MLS002154242', 'MLS002222193', 'SCHEMBL249586', 'BPBio1_000337', 'SCHEMBL1649244', 'CHEMBL1234973', 'CHEMBL1331216', 'CHEMBL2449003', 'CHEBI:92712', 'HY-N0471R', 'DTXSID20941522', 'HMS2095P07', 'HMS2231N11', 'HMS3712P07', 'BDBM50497835', 'AKOS015896332', 'AKOS016843532', 'Hyoscyamine dried down 100 microg/mL', 'CCG-220233', 'DB00424', 'FH36337', '(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate', 'NCGC00179608-01', 'AC-34425', 'AS-75498', '4247B', 'NS00066992', 'HYOSCYAMINE, ITS SALTS AND DERIVATIVES', 'C02046', 'D00147', 'F14785', 'AH-034/21167047', 'Q413762', 'SR-01000799139', 'SR-01000799139-2', 'BRD-K40530731-001-02-5', 'BRD-K40530731-001-11-6', 'Q27464129', '(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate', '(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)(2R)-3-hydroxy-2-phenylpropanoate', '[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenyl-propanoate', '[3(S)-endo]-a-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester', '912642-93-4', 'Benzeneacetic acid, |A-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (|AS)-'] |
From Pubchem