Compound Summary
ipratropium bromide
Compound Information
ipratropium bromide
Compound Name: | ipratropium bromide |
Compound CID: | 657308 |
Synonyms: | ipratropium bromide 22254-24-6 Atrovent Itrop Ipratropiumbromid More... |
Iupac Name: | [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide |
InChI: | InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18?,19?,21?; |
InChIKey: | LHLMOSXCXGLMMN-CLTUNHJMSA-M |
Canonical Smiles: | CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-] |
Isomeric Smiles: | CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-] |
Molecular Weight: | 412.4 |
Molecular Formula: | C20H30BrNO3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
ipratropium bromide
Molecular Weight: | 412.4 |
Molecular Formula: | C20H30BrNO3 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 25 |
Complexity: | 430 |
Synonyms
ipratropium bromide
| ipratropium bromide | ipratropium bromide |
|---|---|
ipratropium bromide |
22254-24-6 |
Atrovent |
Itrop |
Ipratropiumbromid |
Bromure dipratropium |
Bromuro de ipratropio |
Sch 1000 |
Ipratropium Bromide |
Ipratropii bromidum |
8-Isopropylnoratropine methobromide |
N-Isopropylnoratropinium bromomethylate |
MLS000069557 |
60251-88-9 |
Atrovent Hfa |
Ipratropiumbromide |
SMR000058764 |
Ipratropium bromide monohydrate |
8-Azoniabicyclo3.2.1octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide (1:1), (3-exo,8-syn)- |
ATEM |
Ipratropiumbromid German |
Ipratropium bromide INN |
UNII-VJV4X1P2Z1 |
C20H30BrNO3 |
Ipratropii bromidum INN-Latin |
Prestwick_279 |
Bromure dipratropium INN-French |
EINECS 244-873-8 |
EINECS 261-098-0 |
EINECS 262-128-5 |
Bromuro de ipratropio INN-Spanish |
Opera_ID_1621 |
66985-17-9 |
SCHEMBL3852 |
SCHEMBL3854 |
Ipratropium bromide anhydrous |
VJV4X1P2Z1 |
SCHEMBL107906 |
(1S,3S,5R)-3-Tropyloxy-8-isopropyltropanium bromide |
Ipratropium Bromide (anhydrous) |
CHEMBL1464005 |
REGID_for_CID_657308 |
SCHEMBL16762661 |
CHEBI:46659 |
DTXSID60858923 |
HMS2234J05 |
EINECS 246-197-9 |
BDBM50021892 |
MFCD00069291 |
AKOS015895324 |
AKOS030485952 |
(8r)-3-alpha-Hydroxy-8-isopropyl-1-alpha-H,5-alpha-H-tropiumbromide-(+-)-tropate |
3-alpha-Hydroxy-8-isopropyl-1-alpha-H,5-alpha-H-tropanium bromide (+-)-tropate |
(1R,5S)-3-((3-hydroxy-2-phenylpropanoyl)oxy)-8-isopropyl-8-methyl-8-azabicyclo3.2.1octan-8-ium bromide |
(endo,Anti)-(1)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo(3.2.1)octane bromide |
(exo,Syn)-(1)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo(3.2.1)octane bromide |
24358-20-1 |
BI164579 |
N-Isopropylnortropine tropate methobromide |
C74140 |
T72808 |
Q424294 |
3alpha-hydroxy-8-isopropyl-1alphaH,5alphaH-tropanium bromide (+-)-tropate |
1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-isopropyl-, bromide, (+-)-tropate |
(1R,3r,5S)-3-(3-hydroxy-2-phenylpropanoyloxy)-8-isopropyl-8-methyl-8-azoniabicyclo3.2.1octane bromide |
(3-endo,8-syn)-3-(3-hydroxy-2-phenylpropanoyl)oxy-8-isopropyl-8-methyl-8-azoniabicyclo3.2.1octane bromide |
(endo,syn)-(+-)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-8-azoniabicyclo3.2.1octane bromide |
(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo3.2.1octan-3-yl 3-hydroxy-2-phenylpropanoate bromide |
8-Azoniabicyclo(3.2.1)octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide, endo- |
endo-3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo(3.2.1)octane bromide |
rel-(1R,3r,5S,8r)-3-((3-hydroxy-2-phenylpropanoyl)oxy)-8-isopropyl-8-methyl-8-azabicyclo3.2.1octan-8-ium bromide |
rel-(1R,3r,5S,8s)-3-((3-Hydroxy-2-phenylpropanoyl)oxy)-8-isopropyl-8-methyl-8-azabicyclo3.2.1octan-8-ium bromide |
Experimental Data
ipratropium bromide
| 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 | 16.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
ipratropium bromide
Statistics Data
ipratropium bromide
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 16.000000000000000 | 1 | 1 |
Statistics Data Visualization
ipratropium bromide
