General
Preferred name
ipratropium
Synonyms
IPRATROPIUM BROMIDE ()
Ipratropium bromide monohydrate ()
Atrovent, Sch 1000 monohydrate ()
P&D ID
PD002966
CAS
66985-17-9
60205-81-4
22254-24-6
Tags
available
drug
Drug Status
approved
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION The approved drug and INN-assigned compound is ipratropium bromide, and is a racemic mixture of two enantiomers. We depict the non-bromide parent compound, and our structure does not specify stereochemistry and represents the mixture. The PubChem and ChEMBL entries linked to above also show the non-isomeric structure. The PubChem entries which represent the two enatiomers found in the racemate are CID 657309 and CID 43232. Bioactivity data on PubChem is split between the parent compound and the bromide form. Our references specify bioactivity data for the parent compound. (GtoPdb)
DESCRIPTION Muscarinic antagonist (Tocriscreen Total)
Compound Sets
13
AdooQ Bioactive Compound Library
A10476
Concise Guide to Pharmacology 2017/18
325
Concise Guide to Pharmacology 2019/20
325
Concise Guide to Pharmacology 2021/22
325
Concise Guide to Pharmacology 2023/24
325
DrugMatrix
Guide to Pharmacology
325
Ki Database
Ipratropium
NIH Clinical Collections (NCC)
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
Ipratropium-bromide
ipratropium-bromide-monohydrate
Tocriscreen Total
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
332.22
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
1
cLogP
2.85
TPSA
46.53
Fraction CSP3
0.65
Chiral centers
3.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
AChR
Source data