Compound Summary
Compound Information
scopolamine butylbromide
Compound Name: | scopolamine butylbromide |
Compound CID: | 6852391 |
Synonyms: | scopolamine butylbromide 149-64-4 Hyoscine butylbromide N-Butylscopolammonium bromide Buscopan More... |
Iupac Name: | [(1S,2S,4R,5R)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;bromide |
InChI: | InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15?,16-,17-,18+,19-,20+,22?;/m1./s1 |
InChIKey: | HOZOZZFCZRXYEK-HNHWXVNLSA-M |
Canonical Smiles: | CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-] |
Isomeric Smiles: | CCCC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-] |
Molecular Weight: | 440.4 |
Molecular Formula: | C21H30BrNO4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
scopolamine butylbromide
Molecular Weight: | 440.4 |
Molecular Formula: | C21H30BrNO4 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 27 |
Complexity: | 500 |
Synonyms
scopolamine butylbromide
| scopolamine butylbromide | scopolamine butylbromide |
|---|---|
scopolamine butylbromide |
149-64-4 |
Hyoscine butylbromide |
N-Butylscopolammonium bromide |
Buscopan |
Scopolan |
Buscapine |
Buscolysin |
BUTYLSCOPOLAMMONIUM BROMIDE |
Scobutil |
Sporamin |
Butylscopolamine bromide |
Buscolysine |
Amisepan |
Buscapina |
Butylmin |
Donopon |
Joscine |
Monospan |
Scobron |
Scobutyl |
Sparicon |
Stilbron |
Tirantil |
Buscol |
Scobro |
Hyoscine butyl bromide |
N-Butylhyoscinium bromide |
Butylhyoscine |
Scopolamine butobromide |
N-Butylhyoscine bromide |
Hyoscin-N-butyl bromide |
Scopolamine bromobutylate |
(-)-N-Butylscopolamine bromide |
Hyoscine-N-butyl bromide |
Scopolamine butyl bromide |
N-Butylscopolamine bromide |
Scopolamine N-butyl bromide |
N-Butylscopolaminium bromide |
UNII-0GH9JX37C8 |
(-)-Scopolamine Butylbromide |
MLS000069755 |
0GH9JX37C8 |
(-)-SCOPOLAMINE N-BUTYL BROMIDE |
SMR000058795 |
DSSTox_CID_2718 |
DSSTox_RID_76697 |
DSSTox_GSID_22718 |
Buscolamin |
CAS-149-64-4 |
Hyoscine butobromide |
Hyoscine N-butyl bromide |
Hyoscin-N-butylbromid |
butylscopolamin |
Buskolamin |
Antipan |
Buscogast |
Hyocimax |
Scopinal |
Spasmin |
HybroCare |
Butylscopolamine bromide JAN |
SR-01000759230 |
Hyoscin-N-butylbromid German |
Spasler-P |
hyoscin butobromide |
(1?,2?,4?,5?,7?)-9-Butyl-7-(2S)-3-hydroxy-1-oxo-2-phenylpropoxy-9-methyl-3-oxa-9-azoniatricyclo3.3.1.02,4nonane bromide |
EINECS 205-744-1 |
Opera_ID_556 |
scopolamine n-butylbromide |
NCGC00163224-01 |
Scopolamine (butylbromide) |
C21H30BrNO4 |
Scopolamine N-n-butylbromide |
Hyoscine-N-Butyl Bromide Bp |
SCHEMBL25291 |
MLS002153372 |
MLS006013629 |
CHEMBL1256901 |
DTXSID1022718 |
CHEBI:32123 |
HMS2235K20 |
HMS3714I19 |
HMS3884J15 |
HY-N0340 |
Tox21_112031 |
AKOS016009548 |
AKOS037515799 |
Tox21_112031_1 |
CCG-208412 |
CS-3142 |
EBD2197820 |
NCGC00186628-02 |
3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 9-butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-, bromide, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))- |
AC-34139 |
AS-78017 |
R028 |
SMR004705104 |
F17660 |
A884250 |
J-008603 |
SR-01000759230-3 |
N-Butyl Scopolamine Bromide (N-Butyl Hyoscine Bromide) |
(-)-Scopolamine N-butyl bromide, >=98% (TLC), powder |
UNII-0GH9JX37C8 component HOZOZZFCZRXYEK-NUZVBNNJSA-M |
UNII-0GH9JX37C8 component HOZOZZFCZRXYEK-UBNOCOESSA-M |
Hyoscine butylbromide, British Pharmacopoeia (BP) Reference Standard |
Hyoscine butylbromide, European Pharmacopoeia (EP) Reference Standard |
(1R,2R,4S,5S,7S)-9-butyl-7-{(2S)-3-hydroxy-2-phenylpropanoyloxy}-9-methyl-3-oxa-9-azoniatricyclo3.3.1.0~2,4~nonane bromide |
(2R,4S,5S,7s)-9-butyl-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-Tropanium, 8-butyl-6-beta,7-beta-epoxy-3-alpha-hydroxy-, bromide, (-)-tropate |
Experimental Data
scopolamine butylbromide
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 100 | umol/L | 16.48 | 17.25 | 4.697 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10 | umol/L | 16.42 | 15.66 | -4.63 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 47.99 | 49.05 | 2.21 | NS | FEMALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200 | umol/L | 42.22 | 45.21 | 7.08 | NS | MALES | 33008901 | Inactive |
Experimental Data Visualization
scopolamine butylbromide
Statistics Data
scopolamine butylbromide
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 4.697 | 1 | 2 | |
| Drosophila melanogaster | 7.08 | 1 | 2 |
Statistics Data Visualization
scopolamine butylbromide
