Ipratropium Bromide EP Impurity A

CAT: 1299-RM-I091601-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I091601-01Size:10 mg

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CAS Number

58005-18-8

Synonyms

(1R,3r,5S,8r) -3-hydroxy-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide

Molecular Formula

C11H22BrNO

Molecular Weight

264.2

Target Alternative Name

Ipratropium

Product Name Synonym

(1R,3r,5S,8r) -3-hydroxy-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide

Chemical Information

N-Isopropyltropinium

structure given in first source; RN given for bromide ((endo,syn)-isomer); a metabolite of ciclotropium

CAS Number	58005-18-8
PubChem CID	6453562
IUPAC Name	8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol bromide
Molecular Formula	C11H22BrNO
Molecular Weight	264.20
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	188

SMILES

CC(C)[N+]1(C2CCC1CC(C2)O)C.[Br-]

InChI

InChI=1S/C11H22NO.BrH/c1-8(2)12(3)9-4-5-10(12)7-11(13)6-9;/h8-11,13H,4-7H2,1-3H3;1H/q+1;/p-1

InChIKey

YKNOMJKDKYEKDF-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 58005-18-8

CID: 6453562

Formula: C11H22BrNO

MW: 264.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.20
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	263.08848
Monoisotopic Mass	263.08848
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	188
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
RM-I091640-01	Ipratropium Bromide Impurity 40
RM-I091625-01	Ipratropium Bromide Impurity 25
RM-I091612-01	Ipratropium Bromide Impurity O
RM-I091632-01	Ipratropium Bromide Impurity 32
RM-I091634-01	Ipratropium Bromide Impurity 34
RM-I091649-01	Ipratropium Bromide Impurity 49
RM-I091662-01	Ipratropium Bromide Impurity 62
RM-I091660-01	Ipratropium Bromide Impurity 60
RM-I091665-01	Ipratropium Bromide Impurity 65
RM-I091614-01	Ipratropium Bromide Impurity 14

Catalog	Name
AR-I03852-01	Ipratropium Bromide Impurity 11 Bromide
AR-I03850-01	Ipratropium Bromide Impurity 6 Bromide
AR-I03860-01	Ipratropium Bromide Impurity 1 Bromide
I740515	Ipratropium Bromide Methoxy Impurity
AR-I01668-01	Ipratropium Bromide Impurity 5
AR-I01665-01	Ipratropium Bromide Impurity H
AR-I01661-01	Ipratropium Bromide Impurity 1
AR-I03851-01	Ipratropium Bromide Impurity 8
AR-I01658-01	Ipratropium Bromide EP Impurity A
AR-I03856-01	Ipratropium Bromide Impurity 10 HCl