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Bromazine hydrochloride

CAT: 0926-FB19016-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FB19016-01Size:2 mg
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CAS Number
1808-12-4
Synonyms
2-[ (4-Bromophenyl) phenylmethoxy]-N, N-dimethylethanamine hydrochloride;2-[ (p-Bromo-a-phenylbenzyl) oxy]-N, N-dimethylethylamine hydroch loride;2- (4-Bromodiphenylmethoxy) ethyldimethylamine hydrochloride
MDL Number
MFCD01727165
Smiles
CN (C) CCOC (C1=CC=CC=C1) C2=CC=C (C=C2) Br.Cl
Molecular Formula
C17H21BrClNO
Molecular Weight
370.71 g/mol
Controlled
No

Chemical Information

Bromodiphenhydramine Hydrochloride

Bromodiphenhydramine Hydrochloride is the hydrochloride salt form of bromodiphenhydramine, a synthetic ethanolamine with histamine H1 antagonistic and sedative properties. Bromodiphenhydramine hydrochloride blocks the H1 histamine receptor and prevents the symptoms that are caused by histamine activity on capillaries, bronchial smooth muscle, and gastrointestinal smooth muscle, including vasodilation, increased capillary permeability, bronchoconstriction, and spasmodic contraction of gastrointestinal smooth muscle. This drug also prevents histamine-induced pain and itching of mucous membranes.

CAS Number1808-12-4
PubChem CID519514
IUPAC Name2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
Molecular FormulaC17H21BrClNO
Molecular Weight370.7
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity258
SMILES
CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br.Cl
InChI
InChI=1S/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H
InChIKey
ZQDJSWUEGOYDGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromodiphenhydramine Hydrochloride
CAS: 1808-12-4
CID: 519514
Formula: C17H21BrClNO
MW: 370.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass369.04950
Monoisotopic Mass369.04950
Topological Polar Surface Area12.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity258
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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