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Chlorpheniramine Maleate

CAS: 113-92-8 | C20H23ClN2O4

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 113-92-8
Molecular Formula: C20H23ClN2O4
Molecular Weight: 390.86700000000013 g/mol

Names and Synonyms:

Chlorpheniramine Maleate
Histadur
Pyridamal 100
Chlorphenamine hydrogen maleate
C-Meton
Antagonate
Histaspan
Allergisan
Cloropiril
Chlorophenamine
(±)-Chlorpheniramine maleate
dl-Chlorpheniramine maleate
Puermin
Chlorphenamine maleate
Allergin
Neorestamin
Carbinoxamide maleate
Chlorprophenpyridamine maleate
Chlor-Tripolon
Chloroprophenpyridamine maleate
Chlor-Trimeton
Piriton
Chlorpheniramine maleate
Teldrin
Synistamin
Piriex
1-Parachlorophenyl-1-(2-pyridyl)-3-dimethylaminopropane maleate
Ibioton
Histadur dura-tabs
1-p-Chlorophenyl-1-(2-pyridyl)-3-dimethylaminopropane maleate
2-Pyridinepropanamine, γ-(4-chlorophenyl)-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
Pyridine, 2-[p-chloro-α-[2-(dimethylamino)ethyl]benzyl]-, maleate (1:1)
2-Pyridinepropanamine, γ-(4-chlorophenyl)-N,N-dimethyl-, (2Z)-2-butenedioate (1:1)
Chlorphenamine
Histamil
Iramine
Niramine
Calimal
Anallerge 4
Pirafene
Lorphen

Identifiers:

SMILES:
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=CC(=O)O
InChI:
InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 390.86700000000013 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 390.1346348959999 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 27 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 4 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 7 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 90.73 Ų RDKit

Physical Properties

Property Value Source
LogP 3.5304 RDKit
molecular_mass 390.87 g/mol Legacy Database
cas-canonical-smile O=C(O)C=CC(=O)O.ClC1=CC=C(C=C1)C(C2=NC=CC=C2)CCN(C)C None Legacy Database
cas-inchi InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- None Legacy Database
cas-inchi-key InChIKey=DBAKFASWICGISY-BTJKTKAUSA-N None Legacy Database
cas-melting-point 130-135 °C None Legacy Database
cas-name Chlorpheniramine maleate None Legacy Database

Molar

Property Value Source
Molar Refractivity 105.1146000000001 RDKit

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