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Preuve documentaire

Cité dans 0 publications à comité de lecture couvrant la chromatographie, la synthèse organique et les réactions de couplage croisé.

Vue d’ensemble

Ipratropium Bromide is a muscarinic antagonist, bronchodilator, N-Isopropyl salt of atropine.
An N-isopropyl salt of atropine and muscarinic antagonist.

Spécifications

Synonymes

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Muscarinic antagonist, bronchodilator. N-Isopropyl salt of atropine.

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528771701

Sourires canoniques

CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]

IUPAC Name

[(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide

InChIKey

LHLMOSXCXGLMMN-CLTUNHJMSA-M

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?;

Isomères SMILES

CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]

Poids moléculaire

412.37

Reaxy-Rn

6555591

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6555591&ln=

Documentation

📋 Fiche de données de sécurité (FDS)

Document complet couvrant les dangers, la manipulation, le stockage et la conformité réglementaire.

<<<<<<< HEAD Télécharger la SDS → ======= Télécharger la SDS → >>>>>>> release248-p3

✅ Certificat d'analyse (COA)

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Données avancées

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Alkaloids and derivatives
  - Classe Tropane alkaloids

Kingdom	Organic compounds
Superclass	Alkaloids and derivatives
Classe	Tropane alkaloids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tropane alkaloids
Alternative Parents	Beta hydroxy acids and derivatives Piperidines Benzene and substituted derivatives N-alkylpyrrolidines Tetraalkylammonium salts Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic bromide salts Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic zwitterions Organopnictogen compounds Primary alcohols Amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tropane alkaloid - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Piperidine - N-alkylpyrrolidine - Benzenoid - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic salt - Hydrocarbon derivative - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic bromide salt - Organopnictogen compound - Alcohol - Organic zwitterion - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Structure 3D

Cibles associées (humaines)

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

Discover Target: CHRM2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)

Discover Target: CHRM4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

Discover Target: CHRM5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

Discover Target: CHRM3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsomes (16955 Activities)

Lot Number	Certificate Type	Date	Article
G2530516	Certificate of Analysis	Aug 04, 2025	I129762
G2530517	Certificate of Analysis	Aug 04, 2025	I129762
D2324633	Certificate of Analysis	May 06, 2023	I129762
D2324640	Certificate of Analysis	May 06, 2023	I129762

Solubilité	Solvent:water, Max Conc. mg/mL: 20.62, Max Conc. mM: 50
Sensibilité	Hygroscopic
Point de fusion (°C)	229-231°C
Poids moléculaire	412.400 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	411.141 Da
Monoisotopic Mass	411.141 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	430.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Ipratropium Bromide - ≥98% , CAS No.22254-24-6

Stockage & expédition

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Vue d’ensemble

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Documentation

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