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Chloropyramine Hydrochloride

CAT: 0572-TRC-C381268-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C381268-1GSize:1 g
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CAS Number
6170-42-9
Synonyms
Chloropyramine Hydrochloride; 1,2-Ethanediamine, N1-[(4-chlorophenyl)methyl]-N2,N2-dimethyl-N1-2-pyridinyl-, hydrochloride (1:1); 1,2-Ethanediamine, N-[(4-chlorophenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-, monohydrochloride (9CI); Pyridine, 2-[(p-chlorobenzyl)[2-(dimethylamino)ethyl]amino]-, monohydrochloride (8CI); Alergosan; Allergan S hydrochloride; Chloropyramine hydrochloride; Chloropyribenzamine hydrochloride; Halopyramine hydrochloride; NSC 409949; Sinopen hydrochloride; Suprastin hydrochloride; N-(beta-Dimethylaminoethyl)-N-(p-chlorobenzyl)-alpha-aminopyridine hydrochloride
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
Cl.CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2
Molecular Formula
C16 H20 Cl N3 . Cl H
Molecular Weight
326.26
InChI
InChI=1S/C16H20ClN3.ClH/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14;/h3-10H,11-13H2,1-2H3;1H
Additionnal Information
IUPAC name: N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Chloropyramine Hydrochloride

See also: Chloropyramine (has active moiety).

CAS Number6170-42-9
PubChem CID80311
IUPAC NameN'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
Molecular FormulaC16H21Cl2N3
Molecular Weight326.3
Topological Polar Surface Area19.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity264
SMILES
CN(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2.Cl
InChI
InChI=1S/C16H20ClN3.ClH/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14;/h3-10H,11-13H2,1-2H3;1H
InChIKey
VEYWWAGBHABATA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chloropyramine Hydrochloride
CAS: 6170-42-9
CID: 80311
Formula: C16H21Cl2N3
MW: 326.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass325.1112531
Monoisotopic Mass325.1112531
Topological Polar Surface Area19.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity264
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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