Compound Summary

astemizole
  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 Dose Unit Control(Avg days) Treatment(Avg days) Avg/Med Lifespan Change(%) Control(Max days) Treatment(Max days) Max Lifespan Change(%) Significant Strain Gender PubMed Avg/Med Lifespan Change tab
Drosophila melanogaster 200.000000000000000 umol/L 44.800000000000000 43.580000000000000 -2.728000000000000 NS MALES 33008901 Inactive
Caenorhabditis elegans 10.000000000000000 umol/L 15.550000000000000 14.610000000000000 -6.003000000000000 NS N2 33008901 Inactive
Drosophila melanogaster 20.000000000000000 umol/L 45.440000000000000 45.970000000000000 1.156000000000000 NS FEMALES 33008901 Inactive
Caenorhabditis elegans 100.000000000000000 umol/L 17.400000000000000 15.620000000000000 -10.210000000000000 NS N2 33008901 Inactive
  Experimental Data Visualization
 astemizole

  Statistics Data
 astemizole

Species Avg/Med Lifespan Change(%) Max Lifespan Change(%) Count Reference Count Data point
Caenorhabditis elegans -6.003000000000000 1 2
Drosophila melanogaster 1.156000000000000 1 2
  Statistics Data Visualization
 astemizole

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