Compound Summary
hyoscyamine
Compound Information
hyoscyamine
Compound Name: | hyoscyamine |
Compound CID: | 154417 |
Synonyms: | hyoscyamine 101-31-5 L-Hyoscyamine Daturine (-)-Hyoscyamine More... |
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 |
InChIKey: | 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 Weight: | 289.4 |
Molecular Formula: | C17H23NO3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
hyoscyamine
Molecular Weight: | 289.4 |
Molecular Formula: | C17H23NO3 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 21 |
Complexity: | 353 |
Synonyms
hyoscyamine
| hyoscyamine | hyoscyamine |
|---|---|
hyoscyamine |
101-31-5 |
L-Hyoscyamine |
Daturine |
(-)-Hyoscyamine |
Duboisine |
L-Tropine tropate |
(S)-Atropine |
(-)-Atropine |
l-Atropine |
(S)-(-)-Hyoscyamine |
Hyoscyamine (L) |
UNII-PX44XO846X |
ENDO-ATROPINE |
Tropine, (-)-tropate |
(1S,5R)-8-methyl-8-azabicyclo3.2.1octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate |
Cystospaz |
(1R,5S)-8-METHYL-8-AZABICYCLO3.2.1OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE |
PX44XO846X |
1-Hyoscyamine |
Levsinex SR |
CHEBI:17486 |
3(S)-endo-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo3.2.1oct-3-yl ester |
(2S)-3-hydroxy-2-phenylpropanoic acid (5R)-8-methyl-8-azabicyclo3.2.1octan-3-yl ester |
(3-endo)-8-methyl-8-azabicyclo3.2.1oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate |
Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo3.2.1oct-3-yl ester, (alphaS)- |
l-Hyopscyamine |
tropan-3alpha-yl (2S)-3-hydroxy-2-phenylpropanoate |
L-Hyoscamine |
Hyospaz |
Hyosyne |
Levbid |
Symax Duotab |
Hyoscyamine, l- |
Levsin SL |
Symax SL |
Symax SR |
Tropic acid, (-)-, ester with tropine |
OIN |
SMR000718747 |
Hyoscyamine USP:BAN |
Hyocyamine |
Daturin |
Tropine, (-)-tropate (ester) |
(leo)-atropine |
(S)atropine |
HSDB 3552 |
2arm |
Tropine-L-tropate |
(leo)-hyoscyamine |
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-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)- |
HYO |
Prestwick_273 |
EINECS 202-933-0 |
Hyoscyamine (USP) |
MFCD00067306 |
(S)-(leo)-hyoscyamine |
Prestwick3_000233 |
ZINC56 |
SCHEMBL41316 |
BSPBio_000305 |
MLS001304011 |
MLS002154242 |
MLS002222193 |
SCHEMBL249586 |
BPBio1_000337 |
SCHEMBL1649244 |
1alphaH,5alphaH-Tropan-3alpha-ol (-)-tropate (ester) |
CHEMBL1234973 |
CHEMBL1331216 |
CHEMBL2449003 |
CHEBI:92712 |
DTXSID80889335 |
HMS2095P07 |
HMS2231N11 |
HMS3712P07 |
BDBM50497835 |
AKOS015896332 |
AKOS016843532 |
ZINC100009280 |
ZINC100068360 |
CCG-220233 |
DB00424 |
MCULE-1764209130 |
NSC 757064 |
(1R,5S)-8-methyl-8-azabicyclo3.2.1octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate |
NCGC00179608-01 |
AC-34425 |
AS-75498 |
4247B |
C02046 |
D00147 |
F14785 |
Q413762 |
SR-01000799139 |
J-000364 |
SR-01000799139-2 |
BRD-K40530731-001-02-5 |
BRD-K40530731-001-11-6 |
Q27464129 |
UNII-7C0697DR9I component RKUNBYITZUJHSG-FXUDXRNXSA-N |
(3-exo)-8-methyl-8-azabicyclo3.2.1oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate |
(8-Methyl-8-azabicyclo3.2.1octan-3-yl)(2R)-3-hydroxy-2-phenylpropanoate |
(1S,5R)-8-methyl-8-azabicyclo3.2.1octan-3-yl (2S)-3-hydroxy-2-phenyl-propanoate |
(1S,5R)-8-methyl-8-azabicyclo3.2.1octan-3-yl(2S)-3-hydroxy-2-phenylpropanoate |
(2S)-2-Phenyl-3-hydroxypropionic acid (1R,5S)-8-methyl-8-azabicyclo3.2.1octane-3beta-yl ester |
3(S)-endo-a-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo3.2.1oct-3-yl ester |
Benzeneacetic acid, a-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo3.2.1oct-3-yl ester, (aS)- |
Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(S)-endo)- |
Experimental Data
hyoscyamine
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
hyoscyamine
Statistics Data
hyoscyamine
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1.000000000000000 | 1 | 1 |
Statistics Data Visualization
hyoscyamine
