Structure of Ipratropium Bromide CAS 66985-17-9

Iden­ti­fi­ca­tion

CAS Number

66985-17-9

Name

Ipra­t­ropi­um Bro­mide CAS 66985-17-9

Syn­onyms

(3-endo)-3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octanbromidhydrat (1:1:1)
[Ger­man]
[IUPAC name – gen­er­at­ed by ACD/​Name]
(3-endo)-3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bro­mide hydrate (1:1:1)
[IUPAC name – gen­er­at­ed by ACD/​Name]
244-873-8
[EINECS]
66985-17-9
[RN]
8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bro­mide, (3-endo), hydrate (1:1:1)
[Index name – gen­er­at­ed by ACD/​Name]
Atropine iso­propyl bro­mide
Bro­mure de (3-endo)-3-[(3-hydroxy-2-phénylpropanoyl)oxy]-8-isopropyl-8-méthyl-8-azoniabicyclo[3.2.1]octane, hydrate (1:1:1)
[French]
[IUPAC name – gen­er­at­ed by ACD/​Name]
Ipra­t­ropi­um bro­mide
ipra­t­ropi­um bro­mide hydrate
Ipra­t­ropi­um bro­mide mono­hy­drate
[RN]
8-Azoniabicyclo[3.2.1]octane,3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide,hydrate (1:1:1), (3-endo,8-syn)-

SMILES

CC(C)[N+]1(C)[C@@H]2CC[C@H]1CC@@Hc1ccccc1)C2.O.[Br-]

Std­InChI

InChI=1S/C20H30NO3.BrH.H2O/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 ;1H2/q+1;;/p-1/t16-,17+,18+,19?,21?;;

Std­InChIKey

KEWHKYJUR­D­BRMN-XSAPEO­HZSA-M

Mol­e­c­u­lar Formula

C20H32BrNO4

Mol­e­c­u­lar Weight

430.383

EINECS

244-873-8

Prop­er­ties

Appear­ance

White or almost white, crys­talline powder

Melt­ing Point

About 230°C, with decomposition.

Safe­ty Data

RIDADR 

NONH for all modes of transport

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Ipra­t­ropi­um Bro­mide CAS 66985-17-9

Iden­ti­fi­ca­tion Methods

HNMR, HPLC

Assay

99.0%~100.5%

Puri­ty

99.5% min

Relat­ed Substances

Impu­ri­ty A : ≤0.1%
Impu­ri­ty D : ≤0.05%
Impu­ri­ty B : ≤0.1 %
Impu­ri­ty C : ≤0.1 %
Unspec­i­fied impu­ri­ties : for each impu­ri­ty ≤0.10%
Total : ≤0.25%

Sul­fat­ed Ash

≤0.1%

Water

3.9%~4.4%

Resid­ual Solvents

Methanol : ≤0.3%
Ace­tone : ≤0.5%
Iso­propanol : ≤0.5%
Dichloromethane : ≤0.06%
Chlo­ro­form : ≤0.006%
Toluene : ≤0.089%

Shelf Life

2 years

Stor­age

Store in cool place, keep con­tain­er tight­ly closed in a dry and well-ven­ti­lat­ed place.

Known Appli­ca­tion

Ipra­t­ropi­um bro­mide is a clas­sic anti­cholin­er­gic bron­chodila­tor, pri­mar­i­ly used in the treat­ment of res­pi­ra­to­ry diseases.

This prod­uct is devel­oped by our R&D com­pa­ny Cam­ing Phar­ma­ceu­ti­cal Ltd (https://​www​.cam​ing​.com/).

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