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Embramine (hydrochloride)

CAT: 0804-HY-U00132A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-U00132A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Embramine (hydrochloride) is a monoethanolamine used as an antihistamine and anticholinergic[1].
CAS Number
13977-28-1
UNSPSC
12352005
Hazard Statement
H300, H317
Target
Histamine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/embramine-hydrochloride.html
Solubility
10 mM in DMSO
Smiles
CC(C1=CC=CC=C1)(C2=CC=C(Br)C=C2)OCCN(C)C.[H]Cl
Molecular Formula
C18H23BrClNO
Molecular Weight
384.74
Precautions
H300, H317
References & Citations
[1]J M Varga, et al. Mechanism of allergic cross-reactions--I. Multispecific binding of ligands to a mouse monoclonal anti-DNP IgE antibody. Mol Immunol. 1991, 28, 6.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bromadryl
CAS Number13977-28-1
PubChem CID13059512
IUPAC Name2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine;hydrochloride
Molecular FormulaC18H23BrClNO
Molecular Weight384.7
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity296
SMILES
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Br)OCCN(C)C.Cl
InChI
InChI=1S/C18H22BrNO.ClH/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;/h4-12H,13-14H2,1-3H3;1H
InChIKey
JUOZATSMKDYYGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromadryl
CAS: 13977-28-1
CID: 13059512
Formula: C18H23BrClNO
MW: 384.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass383.06515
Monoisotopic Mass383.06515
Topological Polar Surface Area12.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity296
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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