Compound Summary
Scopolamine hydrobromide
Compound Information
Scopolamine hydrobromide
Compound Name: | Scopolamine hydrobromide |
Compound CID: | 6603108 |
Synonyms: | Scopolamine hydrobromide 114-49-8 Scopolamine HBr Scopos Hyoscine hydrobromide More... |
Iupac Name: | [(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide |
InChI: | InChI=1S/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13-,14+,15-,16+;/m1./s1 |
InChIKey: | WTGQALLALWYDJH-WYHSTMEOSA-N |
Canonical Smiles: | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Br |
Isomeric Smiles: | CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.Br |
Molecular Weight: | 384.3 |
Molecular Formula: | C17H22BrNO4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Scopolamine hydrobromide
Molecular Weight: | 384.3 |
Molecular Formula: | C17H22BrNO4 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 23 |
Complexity: | 418 |
Synonyms
Scopolamine hydrobromide
| Scopolamine hydrobromide | Scopolamine hydrobromide |
|---|---|
Scopolamine hydrobromide |
114-49-8 |
Scopolamine HBr |
Scopos |
Hyoscine hydrobromide |
Beldavrin |
Scopamin |
Tranaxine |
Hyosol |
Hyoscine bromide |
(-)-Scopolamine hydrobromide |
(-)-Hyoscine hydrobromide |
Scopolamine (hydrobromide) |
Scopolaminium bromide |
UNII-R3K67DRL3J |
Scopolammonium bromide |
Scopine hydrobromide |
Euscopol |
Isoscopil |
Hysco |
Kwells |
(-)-Scopolamine bromide |
SCOPOLAMINE BROMIDE |
R3K67DRL3J |
l-Hyoscine hydrobromide |
Sereen |
MLS000069527 |
l-Scopolamine-hydrobromide |
CHEBI:61271 |
SMR000058594 |
DSSTox_CID_12029 |
DSSTox_RID_78902 |
DSSTox_GSID_32029 |
CAS-114-49-8 |
Scopolamine hydrobromide anhydrous |
EINECS 204-050-6 |
NSC 61806 |
Opera_ID_496 |
EC 204-050-6 |
hyoscine bromide (anhydrous) |
SCHEMBL40627 |
scopolamine bromide (anhydrous) |
CHEMBL3185877 |
DTXSID0032029 |
HY-N0296A |
scopolaminium bromide (anhydrous) |
REGID_for_CID_6603108 |
scopolammonium bromide (anhydrous) |
672-21-9 |
Scopolamine Hydrobromide (anhydrous) |
Tox21_110035 |
Tox21_302019 |
(-)-scopolamine bromide (anhydrous) |
s2508 |
(-)-hyoscine hydrobromide (anhydrous) |
AKOS015965267 |
Tox21_110035_1 |
AC-3389 |
CCG-268451 |
CS-2000 |
1alphaH,5alphaH-Tropan-3-alpha-ol, 5beta,7beta-epoxy-, (-)-tropate (ester), hydrobromide |
NCGC00013722-01 |
NCGC00024357-07 |
NCGC00255166-01 |
(-)-scopolamine hydrobromide (anhydrous) |
AS-35324 |
N2570 |
SW199343-2 |
114S498 |
A935283 |
SR-01000597758 |
SR-01000597758-1 |
W-108599 |
Q27130957 |
(-)-Scopolamine hydrobromide;Hyoscine hydrobromide;Scopine hydrobromide |
(?,S)-?-(Hydroxymethyl)benzeneacetic acid (1?,2?,4?,5?,7?)-9-methyl-3-oxa-9-azatricyclo3.3.1.02,4non-7-yl ester hydrobromide |
(1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo3.3.1.0(2,4)non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide |
(1R,2R,4S,5S,7s,9s)-7-{(2S)-3-hydroxy-2-phenylpropanoyloxy}-9-methyl-3-oxa-9-azoniatricyclo3.3.1.0(2,4)nonane bromide |
1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 6-beta,7-beta-epoxy-, (-)-tropate (ester), hydrobromide |
1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, (-)-tropate (ester), hydrobromide (8CI) |
Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-9-methyl-3-oxa-9-azatricyclo3.3.1.02,4non-7-yl ester, (.alpha.S)- hydrobromide |
Benzeneacetic acid, alpha-(hydroxymethyl)-, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, hydrobromide (1:1), (alphaS)- |
Benzeneacetic acid, alpha-(hydroxymethyl)-, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, hydrobromide, (alphaS)- |
Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, hydrobromide, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))- (9CI) |
Experimental Data
Scopolamine hydrobromide
| 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 | -11.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Scopolamine hydrobromide
Statistics Data
Scopolamine hydrobromide
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -11.000000000000000 | 1 | 1 |
Statistics Data Visualization
Scopolamine hydrobromide
