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AG003DSP
68844-77-9 | 1-[(4-Fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-1H-benzimidazol-2-amine
![Chemical structure of 1-[(4-Fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-1H-benzimidazol-2-amine, CAS 68844-77-9](https://api.angenesci.com/structure/3307/68844-77-9.png)
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| CAS Number | 68844-77-9 |
| Catalog Number | AG003DSP(AGN-PC-0TTUPS) |
| Chemical Name | 1-[(4-Fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-1H-benzimidazol-2-amine |
| EC Number | 272-441-9 |
| 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) |
| InChI Key | GXDALQBWZGODGZ-UHFFFAOYSA-N |
| MDL Number | MFCD00153919 |
| Molecular Formula | C28H31FN4O |
| Molecular Weight | 458.5703 |
| SMILES | C(n1c2c(nc1NC1CCN(CC1)CCc1ccc(cc1)OC)cccc2)c1ccc(cc1)F |
| UNII | 7HU6337315 |
| Synonyms | Alermizol,
Alonga, Astemizol,
Astemina,
Astemizol Alonga,
Astemizol ratiopharm,
Astemizole,
Astesen,
Emdar,
Esmacen,
Fustermizol,
Hismanal,
Histaminos,
Hubermizol,
Laridal,
Paralergin,
R 43 512,
R-43-512,
R43512,
ratiopharm, Astemizol,
Retolen,
Rifedot,
Rimbol,
Romadin,
Simprox,
Urdrim,
astemizole,
68844-77-9,
Hismanal,
Histaminos,
Paralergin,
Laridal,
Retolen,
Alermizol,
Astemison,
Astemizol,
Histamen,
Kelp,
Astemizolum,
Astemisan,
Hestazol,
Histazol,
Wareezol,
Metodih,
Novo-mastizol A,
Astemizol [German],
Metodik,
Waruzol,
Astemizol [INN-Spanish],
Astemizolum [INN-Latin],
C28H31FN4O,
CCRIS 7595,
R 42512,
GNF-PF-2461,
HSDB 6799,
UNII-7HU6337315,
1-[(4-Fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-1H-benzimidazol-2-amine,
EINECS 272-441-9,
R-43512,
BRN 4830190,
1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole,
1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole,
MLS000028667,
CHEBI:2896,
CHEMBL296419,
GXDALQBWZGODGZ-UHFFFAOYSA-N,
MFCD00153919,
NCGC00016913-08,
SMR000058911,
CAS-68844-77-9,
DSSTox_CID_110,
7HU6337315,
1-(4-Fluorobenzyl)-2-(1-[4-methoxyphenethyl]piperidin-4-yl)aminobenzimidazole,
Benzimidazole, 1-(p-fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)-,
DSSTox_RID_75373,
DSSTox_GSID_20110,
1-((4-Fluorophenyl)methyl)-N-(1-(2-(4-methoxyphenyl)ethyl)-4-piperidinyl)- 1H-benzimidazol-2-amine,
1H-Benzimidazol-2-amine, 1-((4-fluorophenyl)methyl)-N-(1-(2-(4-methoxyphenyl)eth l)-4-piperidinyl)-,
1H-Benzimidazol-2-amine, 1-((4-fluorophenyl)methyl)-N-(1-(2-(4-methoxyphenyl)ethyl)-4-piperidinyl)-,
1H-Benzimidazol-2-amine, 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-,
W-104654,
Astemisol,
Novo-nastizol a,
Nono-Nastizol A,
[3H]Astemizole,
1-(4-fluorobenzyl)-2-(1-(4-methoxyphenethyl)piperidin-4-yl)aminobenzimidazole,
1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine,
1-(p-Fluorobenzyl)-2-[[1-(p-methoxyphenethyl)-4-piperidyl]amino]benzimidazole,
1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl]benzimidazol-2-amine,
1-[(4-fluorophenyl)methyl]-N-(1-{2-[4-(methyloxy)phenyl]ethyl}piperidin-4-yl)-1H-benzimidazol-2-amine,
1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine,
1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-1,3-benzodiazol-2-amine,
Astemizole [USAN:BAN:INN],
SR-01000003168,
HISMANAL (TN),
Astemizole (JAN/USP/INN),
MJD-30,
Astemizole,(S),
Prestwick_35,
R-43-512,
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,
Astemizole, [O-Methyl-3H],
MLS001148073,
DivK1c_000039,
SPECTRUM2300094,
SPBio_001804,
SPBio_002151,
AC1L1D93,
BPBio1_000234,
GTPL2603,
Astemizole, >=98% (HPLC),
DTXSID9020110,
UPCMLD-DP024:001,
BDBM24226,
CTK8F7845,
HMS500B21,
KBio1_000039,
KBio2_000928,
KBio2_003496,
KBio2_006064,
KBio3_001904,
NINDS_000039,
HMS1568K14,
HMS1922L12,
HMS2090F14,
HMS2093L18,
HMS2095K14,
HMS2234M17,
HMS3373B08,
HMS3677N12,
HMS3712K14,
Pharmakon1600-02300094,
ZINC601274,
BCP16088,
Tox21_110680,
Tox21_200095,
BG0092,
CCG-39453,
NSC329963,
NSC759570,
STL301859,
AKOS005064371,
Hestazol, Kelp, Laridal, Retolen, Wareezol, HSBD 6799, BRN 4830190,
Tox21_110680_1,
API0002918,
DB00637,
KS-5171,
MCULE-9080712110,
NSC-329963,
NSC-759570,
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,
AJ-23671,
AN-38015,
BC218650,
HY-12532,
K146,
LS-32978,
SC-18314,
ACM1189961394,
SBI-0051891.P002,
AB00052413,
B7409,
FT-0622497,
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,
R 43,512,
SR-01000003168-2,
SR-01000003168-4,
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-benzo[d]imidazol-2-amine,
{1-[(4-fluorophenyl)methyl]benzimidazol-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,
1-[(fluorophenyl)-methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-1H-benzimidazol-2-amine,
1H-Benzimidazol-2-amine,1-((4-fluorophenyl)methyl)-N-(1-(2-(4-methoxyphenyl)ethyl)-4-piperdinyl),
Fustermizol,
Hubermizol,
Astemina,
Astesen,
Esmacen,
Rifedot,
Romadin,
Simprox,
Rimbol,
Urdrim,
Emdar,
Astemizol Alonga,
Alonga, Astemizol,
Astemizole-d3,
Astemizol ratiopharm,
ratiopharm, Astemizol,
Astemizole Byk Brand,
Astemizole ICN Brand,
Astemizole Diba Brand,
Astemizole Vita Brand,
Astemizole Elfar Brand,
Astemizole Lesvi Brand,
Astemizole Merck Brand,
Astemizole Septa Brand,
Astemizole Alacan Brand,
Astemizole Alonga Brand,
Astemizole Esteve Brand,
Astemizole Urbion Brand,
Astemizole McNeil Brand,
Byk Brand of Astemizole,
Astemizole Fustery Brand,
Astemizole Janssen Brand,
Astemizole Medinsa Brand,
Astemizole Smaller Brand,
ICN Brand of Astemizole,
Diba Brand of Astemizole,
Vita Brand of Astemizole,
[3H]-ASTEMIZOLE,
AlacanBrand of Astemizole,
Elfar Brand of Astemizole,
Lesvi Brand of Astemizole,
Merck Brand of Astemizole,
Septa Brand of Astemizole,
Astemizole Senosiain Brand,
Alonga Brand of Astemizole,
Astemizole ratiopharm Brand,
D0Y2HR,
Esteve Brand of Astemizole,
McNeil Brand of Astemizole,
Urbion Brand of Astemizole,
Fustery Brand of Astemizole,
Janssen Brand of Astemizole,
Medinsa Brand of Astemizole,
Smaller Brand of Astemizole,
Senosiain Brand of Astemizole,
Astemizole [USAN:INN:BAN],
ratiopharm Brand of Astemizole,
Reig Jofre Brand of Astemizole,
CID2247,
C28-H31-F-N4-O,
CS-O-11602,
NSC 329963,
R 43 512,
R43512,
D016589,
1-((4-Fluorophenyl)-methyl)-N-(1-(2-(4-methoxyphenyl)ethyl)-4-piperidinyl)-1H-benzimidazol-2-amine,
1H-benzimidazol-2-amina, 1-[(4-fluorofenil) metil]-N-[1-[2-(4-metoxifenil)] etil]-4-piperidinil-,
|
| Complexity | 599 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 458.248g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 458.581g/mol |
| Monoisotopic Mass | 458.248g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 42.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
| Hazard Class | \N |
| Hazard statements | H315-H319-H335 |
| Packing Group | \N |
| Precautionary statements | P305+P351+P338-P261-P280a-P304+P340-P405-P501a |
| UN Code | \N |
Certificate of Analysis
Lot Number
Related Research Chemicals
CERTIFICATE OF ANALYSIS
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
Analysis Data:
| Test: | Result: |
Conclusion: The above product meets the specifications of Angene.
Analyst:Chase
Date:
Reviewed by:Jessie
Date:
Angene International Limited