Compound Summary
Compound Information
astemizole
Compound Name: | astemizole |
Compound CID: | 2247 |
Synonyms: | astemizole 68844-77-9 Hismanal Histaminos Paralergin More... |
Iupac Name: | 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine |
InChI: | InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) |
InChIKey: | GXDALQBWZGODGZ-UHFFFAOYSA-N |
Canonical Smiles: | COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F |
Isomeric Smiles: | COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F |
Molecular Weight: | 458.6 |
Molecular Formula: | C28H31FN4O |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
astemizole
Molecular Weight: | 458.6 |
Molecular Formula: | C28H31FN4O |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 34 |
Complexity: | 599 |
Synonyms
astemizole
| astemizole | astemizole |
|---|---|
astemizole |
68844-77-9 |
Hismanal |
Histaminos |
Paralergin |
Laridal |
Retolen |
Astemison |
Histamen |
Kelp |
Astemizol |
Astemizolum |
1-(4-Fluorophenyl)methyl-N-1-2-(4-methoxyphenyl)ethyl-4-piperidinyl-1H-benzimidazol-2-amine |
Alermizol |
1-(4-fluorophenyl)methyl-N-1-2-(4-methoxyphenyl)ethylpiperidin-4-ylbenzimidazol-2-amine |
R 42512 |
GNF-PF-2461 |
UNII-7HU6337315 |
1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole |
1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole |
Astemisan |
MLS000028667 |
CHEBI:2896 |
CHEMBL296419 |
Hestazol |
Histazol |
Metodih |
Wareezol |
Novo-mastizol A |
MFCD00153919 |
1H-Benzimidazol-2-amine, 1-(4-fluorophenyl)methyl-N-1-2-(4-methoxyphenyl)ethyl-4-piperidinyl- |
Astemizol German |
NCGC00016913-08 |
Metodik |
SMR000058911 |
Waruzol |
CAS-68844-77-9 |
DSSTox_CID_110 |
7HU6337315 |
1-(4-Fluorobenzyl)-2-(1-4-methoxyphenethylpiperidin-4-yl)aminobenzimidazole |
Benzimidazole, 1-(p-fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)- |
DSSTox_RID_75373 |
Astemizol INN-Spanish |
Astemizolum INN-Latin |
DSSTox_GSID_20110 |
R 43512 |
1-(4-Fluorophenyl)methyl-N-{1-2-(4-methoxyphenyl)ethylpiperidin-4-yl}-1H-benzimidazol-2-amine |
1H-Benzimidazol-2-amine, 1-((4-fluorophenyl)methyl)-N-(1-(2-(4-methoxyphenyl)ethyl)-4-piperidinyl)- |
R 43,512 |
C28H31FN4O |
1-((4-Fluorophenyl)methyl)-N-(1-(2-(4-methoxyphenyl)ethyl)-4-piperidinyl)- 1H-benzimidazol-2-amine |
Novo-nastizol a |
3HAstemizole |
1-(4-fluorobenzyl)-2-(1-(4-methoxyphenethyl)piperidin-4-yl)aminobenzimidazole |
1-(4-fluorobenzyl)-N-{1-2-(4-methoxyphenyl)ethylpiperidin-4-yl}-1H-benzimidazol-2-amine |
1-(p-Fluorobenzyl)-2-1-(p-methoxyphenethyl)-4-piperidylaminobenzimidazole |
1-(4-fluorophenyl)methyl-N-(1-{2-4-(methyloxy)phenylethyl}piperidin-4-yl)-1H-benzimidazol-2-amine |
1-(4-fluorophenyl)methyl-N-{1-2-(4-methoxyphenyl)ethylpiperidin-4-yl}-1H-1,3-benzodiazol-2-amine |
CCRIS 7595 |
HSDB 6799 |
SR-01000003168 |
HISMANAL (TN) |
EINECS 272-441-9 |
BRN 4830190 |
Astemizole (JAN/USP/INN) |
MJD-30 |
Astemizole,(S) |
Astemizole-d3 |
Prestwick_35 |
NSC 329963 |
Astemizole USAN:USP:INN:BAN:JAN |
Opera_ID_62 |
Spectrum_000448 |
Prestwick0_000136 |
Prestwick1_000136 |
Prestwick2_000136 |
Prestwick3_000136 |
Spectrum2_001732 |
Spectrum3_001072 |
Spectrum4_001223 |
Spectrum5_001239 |
UPCMLD-DP024 |
cid_2247 |
SCHEMBL4385 |
REGID_for_CID_2247 |
BSPBio_000212 |
BSPBio_002684 |
KBioGR_001686 |
KBioSS_000928 |
1H-Benzimidazol-2-amine, 1-((4-fluorophenyl)methyl)-N-(1-(2-(4-methoxyphenyl)eth l)-4-piperidinyl)- |
Astemizole, O-Methyl-3H |
MLS001148073 |
DivK1c_000039 |
SPECTRUM2300094 |
SPBio_001804 |
SPBio_002151 |
BPBio1_000234 |
GTPL2603 |
Astemizole, >=98% (HPLC) |
DTXSID9020110 |
UPCMLD-DP024:001 |
BDBM24226 |
HMS500B21 |
KBio1_000039 |
KBio2_000928 |
KBio2_003496 |
KBio2_006064 |
KBio3_001904 |
NINDS_000039 |
HMS1568K14 |
HMS1922L12 |
HMS2090F14 |
HMS2093L18 |
HMS2095K14 |
HMS2234M17 |
HMS3373B08 |
HMS3413N12 |
HMS3677N12 |
HMS3712K14 |
Pharmakon1600-02300094 |
ZINC601274 |
BCP16088 |
EX-A3350 |
Tox21_110680 |
Tox21_200095 |
CCG-39453 |
NSC329963 |
NSC759570 |
STL301859 |
AKOS005064371 |
Tox21_110680_1 |
DB00637 |
KS-5171 |
MCULE-9080712110 |
NSC 759570 |
NSC-329963 |
NSC-759570 |
1-(4-fluorophenyl)methyl-N-1-2-(4-methoxyphenyl)ethyl-4-piperidylbenzimidazol-2-amine |
IDI1_000039 |
QTL1_000010 |
NCGC00016913-01 |
NCGC00016913-02 |
NCGC00016913-03 |
NCGC00016913-04 |
NCGC00016913-05 |
NCGC00016913-06 |
NCGC00016913-07 |
NCGC00016913-09 |
NCGC00016913-10 |
NCGC00016913-11 |
NCGC00016913-12 |
NCGC00016913-14 |
NCGC00018288-01 |
NCGC00022520-03 |
NCGC00022520-04 |
NCGC00022520-05 |
NCGC00022520-06 |
NCGC00022520-07 |
NCGC00257649-01 |
HY-12532 |
K146 |
SBI-0051891.P002 |
AB00052413 |
B7409 |
CS-0011989 |
FT-0622497 |
FT-0662309 |
ST51014896 |
5318-EP2270008A1 |
5318-EP2281815A1 |
5318-EP2292617A1 |
5318-EP2292619A1 |
5318-EP2295409A1 |
5318-EP2301933A1 |
5318-EP2305640A2 |
5318-EP2305659A1 |
5318-EP2308562A2 |
5318-EP2311827A1 |
5318-EP2314590A1 |
5318-EP2371811A2 |
A13899 |
C06832 |
D00234 |
AB00052413-18 |
AB00052413_19 |
844A779 |
L001015 |
Q423437 |
SR-01000003168-2 |
SR-01000003168-4 |
W-104654 |
BRD-K37249724-001-05-9 |
BRD-K37249724-001-16-6 |
Astemizole, United States Pharmacopeia (USP) Reference Standard |
1-(4-fluorobenzyl)-N-(1-(4-methoxyphenethyl)piperidin-4-yl)-1H-benzodimidazol-2-amine |
{1-(4-fluorophenyl)methylbenzimidazol-2-yl}{1-2-(4-methoxyphenyl)ethyl(4-p iperidyl)}amine |
1-(4-Fluorobenzyl)-N-(1-2-(4-methoxyphenyl)ethyl-4-piperidinyl)-1H-benzimidazol-2-amine # |
1-(4-fluorophenylmethyl)-N-{1-2-(4-methoxyphenyl)ethyl-4-piperidinyl}-1H-benzimidazol-2-amine |
XB7 |
Experimental Data
astemizole
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 200 | umol/L | 44.8 | 43.58 | -2.728 | NS | MALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10 | umol/L | 15.55 | 14.61 | -6.003 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 45.44 | 45.97 | 1.156 | NS | FEMALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100 | umol/L | 17.4 | 15.62 | -10.21 | NS | N2 | 33008901 | Inactive |
Experimental Data Visualization
astemizole
Statistics Data
astemizole
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -6.003 | 1 | 2 | |
| Drosophila melanogaster | 1.156 | 1 | 2 |
Statistics Data Visualization
astemizole
