| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 19 | Yes |
Popular Name: Chlorpheniramine maleate Chlorpheniramine maleate
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 113-92-8 , 113-92-8, 132-22-9 [chlor , 113-92-8, 132-22-9 [chlorpheniramine] , 1159788-59-6 , 132-22-9 , 2438-32-6 , 7054-11-7 , [113-92-8] , [132-22-9]
()-Chlorpheniramine maleate salt
(-)-chlorpheniramine; l-chlorpheniramine
(¡À)-Chlorpheniramine maleate salt
1-(p-Chlorophenyl)-1-(2-pyridyl)-3-dimethylaminopropane
1-(p-Chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpropylamine
113-92-8; C07780; Chlorpheniramine maleate
113-92-8; Chlor-trimeton (TN); Chlorpheniramine maleate (JP16/USP); D00665; Teldrin (TN)
113-92-8; Chlorpheniramine maleate; Prestwick_57
132-22-9; Chlorphenamine (INN); Chlorpheniramine; Clofeniramina (TN); D07398
2-(p-Chloro-alpha-(2-(dimethylamino)ethyl)benzyl)pyridine
2-Pyridinepropanamine, .gamma.-(4-chlorophenyl)-N,N-dimethyl-
2-Pyridinepropanamine, .gamma.-(4-chlorophenyl)-N,N-dimethyl-, (S)-
2-Pyridinepropanamine, gamma-(4-chlorophenyl)-N,N-dimethyl-
3-(4-Chlorophenyl)-N,N-dimethyl-3-(2-pyridinyl)-1-propanamine
3-(4-chlorophenyl)-N,N-dimethyl-3-(pyridin-2-yl)propan-1-amine
3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
3-(p-Chlorophenyl)-3-(2-pyridyl)-N,N-dimethylpropylamine
C16H19ClN2; LS-174369; dexchlorpheniramine, (R)-isomer
CHLOR-TRIMETON; CHLORPHENIRAMINE MALEATE; LS-187903; PSEUDOEPHEDRINE SULFATE
Chlorphenamine (INN); Chlorpheniramine (BAN); Chlorpheniramine Polistirex (FDA
CHLORPHENIRAMINE (SEE ALSO: CHLORPHENIRAMINE MALEATE (CAS113-92-8))
CPD000466271; Chlorpheniramine; 113-92-8
CPD000466271; Chlorpheniramine; SAM001247022
Efidac 24 Chlorpheniramine Maleate
gamma-(4-Chlorophenyl)-gamma-(2-pyridyl)propyldimethylamine
gamma-(4-Chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine
N-[(3R)-3-(4-chlorophenyl)-3-(2-pyridyl)propyl]-N,N-dimethylamine fumarate
n.-Propanamine, 3-(4-chlorophenyl)-3-(2-pyridyl)-N,N-dimethyl-
Pyridine, 2-(p-chloro-alpha-(2-(dimethylamino)ethyl)benzyl)-
USAN); Chlorpheniramine maleate (FDA
USAN); Chlorpheniramine Maleate (JAN
USP); Chlorpheniramine (BAN); Chlorphenamine (INN)
[3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylamine; but-2-enedioic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.31 | 9.72 | -41.24 | 1 | 2 | 1 | 17 | 275.803 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 4.97 | Bitter DB |
| MP | 112 - 115 | Enamine Building Blocks |
| MP | 112...115 | Enamine Building Blocks |
| Melting_Point | 130-135? | Alfa-Aesar |
| Melting_Point | 130-135° | Alfa-Aesar |
| MP | 135 | TCI |
| ALOGPS_SOLUBILITY | 5.19e-02 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| therap | antihistamine | MicroSource Pharmakon |
| Therapy | antihistaminic | SMDC MicroSource |
| PUBCHEM_PATENT_ID | EP0005984A1; EP0005985A1; EP0007232A1; EP0009046A1; EP0009061A1; EP0013071A1; EP0015138A1; EP0020777A1; EP0028526A2; EP0038979A1; EP0047119A1; EP0048280A1; EP0050977A1; EP0079545A1; EP0082376A2; EP0085959A2; EP0091964A1; EP0091964B2; EP0097523A2; EP010042 | IBM Patent Data |
| Target | Histamine Receptor | Selleck Chemicals |
| UniProt Database Links | HRH4_HUMAN | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100728; 1 maleic acid | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100728; SALT: 1 maleic acid | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1-2-E | Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 9 | 0.59 | Binding ≤ 10μM |
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 4680 | 0.39 | Binding ≤ 10μM |
| SCN1A-1-E | Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.37 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.37 | Binding ≤ 10μM |
| SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.37 | Binding ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.37 | Binding ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 12 | 0.58 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3900 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 66 | 0.53 | Binding ≤ 1μM |
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 2 | 0.64 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 1100 | 0.44 | Binding ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 66 | 0.53 | Binding ≤ 10μM |
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 2 | 0.64 | Binding ≤ 10μM |
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 10000 | 0.37 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 10000 | 0.37 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 10000 | 0.37 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 10000 | 0.37 | Binding ≤ 10μM |
| HRH1_CAVPO | P31389 | Histamine H1 Receptor, Guinea Pig | 12 | 0.58 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 1000 | 0.44 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Histamine receptors | |
| Interaction between L1 and Ankyrins | |
| Voltage gated Potassium channels |
