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Details

Stereochemistry RACEMIC
Molecular Formula C20H30NO3
Molecular Weight 332.4571
Optical Activity ( + / - )
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of Ipratropium, anti-

SMILES

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

InChI

InChIKey=OEXHQOGQTVQTAT-TZDKFLMESA-N
InChI=1S/C20H30NO3/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/q+1/t16-,17+,18+,19?,21-

HIDE SMILES / InChI

Molecular Formula C20H30NO3
Molecular Weight 332.4571
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:18:45 GMT 2025
Edited
by admin
on Wed Apr 02 16:18:45 GMT 2025
Record UNII
9TY76QB93Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ipratropium, anti-
Common Name English
8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, (3-endo,8-anti)-
Preferred Name English
IPRATROPIUM BROMIDE IMPURITY B [EP IMPURITY]
Common Name English
Ipratropium related compound B [USP RS]
Common Name English
(1R,3r,5S,8s)-3-[[(2RS)-3-Hydroxy-2-phenylpropanoyl]oxy]-8-methyl-8-(1-methylethyl)-8-azoniabicyclo[3.2.1]octane
Systematic Name English
Code System Code Type Description
CAS
148841-40-1
Created by admin on Wed Apr 02 16:18:45 GMT 2025 , Edited by admin on Wed Apr 02 16:18:45 GMT 2025
PRIMARY
FDA UNII
9TY76QB93Q
Created by admin on Wed Apr 02 16:18:45 GMT 2025 , Edited by admin on Wed Apr 02 16:18:45 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY