CAS No.3485-62-9,Clidinium bromide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3485-62-9
Name:	Clidinium bromide

Formula:	C₂₂H₂₆NO₃^.Br
Molecular Weight:	432.357
Synonyms:	1-Azoniabicyclo[2.2.2]octane,3-[(hydroxydiphenylacetyl)oxy]-1-methyl-, bromide (9CI);3-Hydroxy-1-methylquinuclidinium bromide, benzilate (6CI,7CI);Quinuclidinium,3-hydroxy-1-methyl-, bromide, benzilate (8CI);1-Methyl-3-(benziloyloxy)quinuclidinium bromide;3-(Benziloyloxy)-1-methylquinuclidinium bromide;Quarzan;
EINECS:	222-471-3
Melting Point:	240-241 °C
Appearance:	White crystalline solid
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	36
PSA:	46.53000
LogP:	-0.33270

Synthetic route

: 74-83-9
methyl bromide

(+-)-benzilic acid quinuclidin-3-yl ester: (+-)-benzilic acid quinuclidin-3-yl ester

: 3485-62-9
clidinium bromide

Conditions

Conditions	Yield
With chloroform; acetone

: 76-60-8
bromocresol green

: 3485-62-9
clidinium bromide

: Br(1-)*C21H14Br4O5S*C22H26NO3(1+)

Conditions

Conditions	Yield
pH=3; aq. buffer;

: 76-59-5
bromothymol blue

: 3485-62-9
clidinium bromide

: Br(1-)*C22H26NO3(1+)*C27H28Br2O5S

Conditions

Conditions	Yield
pH=3; aq. buffer;

: 3485-62-9
clidinium bromide

: 62625-28-9
3',3'',5',5''-tetrabromophenolsulphonephthalein sodium salt

: clidinium-BPB complex

Conditions

Conditions	Yield
pH=3; aq. buffer;

Raw Materials

74-83-9

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Specification

The Clidinium Bromide is an organic compound with the formula C₂₂H₂₆NO₃^.Br. The IUPAC name of this chemical is (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)2-hydroxy-2,2-diphenylacetate bromide. With the CAS registry number 3485-62-9, it is also named as 3-[(Hydroxydiphenylacetyl)oxy]-1-methyl-1-azoniabicyclo[2.2.2]octane Bromide. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals. Besides, it is a white crystalline solid, which should be stored in a cool and well-ventilated place.

Physical properties about Clidinium Bromide are: (1)ACD/LogP: 0.83; (2)ACD/LogD (pH 5.5): 0.83; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 2.52; (5)ACD/BCF (pH 7.4): 2.52; (6)ACD/KOC (pH 5.5): 67.44; (7)ACD/KOC (pH 7.4): 67.48; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 35.53 Å².

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].O=C(OC2C1CC[N+](CC1)(C)C2)C(O)(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H/q+1;/p-1
(3)InChIKey: GKEGFOKQMZHVOW-REWHXWOFAL
(4)Std. InChI: InChI=1S/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H/q+1;/p-1
(5)Std. InChIKey: GKEGFOKQMZHVOW-UHFFFAOYSA-M