| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 28 | Yes |
Popular Name: Meclizine hydrochloride Meclizine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1104-22-9 , 31884-77-2 , 31884-77-2, 1104-22-9 [an , 31884-77-2, 1104-22-9 [anhydrous], 569-65-3 [meclizine] , 569-65-3 , [1104-22-9] , [31884-77-2]
1-((4-Chlorophenyl)(phenyl)methyl)-4-(3-methylbenzyl)piperazine
1-((4-Chlorophenyl)(phenyl)methyl)-4-(3-methylbenzyl)piperazine dihydrochloride
1-((4-Chlorophenyl)phenylmethyl)-4-((3-methylphenyl)methyl)piperazine
1-(p-Chloro-.alpha.-phenylbenzyl)-4-(m-methylbenzyl)piperazine
1-(p-Chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)piperazine
1-(p-Chlorobenzhydryl)-4-(m-methylbenzyl)diethylenediamine
1-(p-Chlorobenzhydryl)-4-(m-methylbenzyl)piperazine
1-p-Chlorobenzhydryl-4-m-methylbenzylpiperazine
1-[(4-Chlorophenyl)(phenyl)methyl]-4-(3-methylbenzyl)piperazine hydrochloride
1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine dihydrochloride
1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine
1104-22-9; Meclozine dihydrochloride; Prestwick_534
569-65-3; C07116; Meclizine; Meclozine
569-65-3; D08163; Meclizine; Meclozine (BAN); Nevidoxine (TN)
CHLOROPHENYLPHENYLMETHYLMETHYLBENZYLPIPERAZINEDIHYDROCHLORID
CPD000058736; Duremesin; SAM002548969
CPD000058736; Meclizine hydrochloride; SAM002548969
Meclizine dihydrochloride monohydrate
Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((3-methylphenyl)methyl)-
Piperazine, 1-(p-chloro-.alpha.-phenylbenzyl)-4-(m-methylbenzyl)-
Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)-
Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-
| 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) | 5.91 | 14.62 | -39.76 | 1 | 2 | 1 | 8 | 391.966 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.91 | 14.21 | -37.35 | 1 | 2 | 1 | 8 | 391.966 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.91 | 12.37 | -3.17 | 0 | 2 | 0 | 6 | 390.958 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.03e-03 g/l | DrugBank-approved |
| MP | 231 - 233 | Enamine Building Blocks |
| MP | 231...233 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Therapy | antiemetic | SMDC Iconix |
| PUBCHEM_PATENT_ID | EP0017439A1; EP0045996A1; EP0129284A2; EP0129285A2; EP0129285B1; EP0181721A1; EP0198392A1; EP0214724A1; EP0214724B1; EP0260952A2; EP0271679A2; EP0306191A2; EP0383124A2; EP0474501B1; EP0507143B1; EP0514159A1; EP0527835A1; EP0527835B1; EP0562705B1; EP056897 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Enamine; NCC_SUPPLIER_STRUCTURE_ID : 36991575; 2 hydrogen chloride | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Enamine; SUPPLIER_STRUCTURE_ID: 36991575; SALT: 2 hydrogen chloride | NIH Clinical Collection via PubChem |
