![Chemical structure of 5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one, CAS 57808-66-9](https://api.angenesci.com/structure/1821/57808-66-9.png)
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| CAS Number | 57808-66-9 |
| Catalog Number | AG0037JP(AGN-PC-0SOGWA) |
| Chemical Name | 5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one |
| EC Number | 260-968-7 |
| IUPAC Name | 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one |
| InChI | InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30) |
| InChI Key | FGXWKSZFVQUSTL-UHFFFAOYSA-N |
| MDL Number | MFCD00069256 |
| Molecular Formula | C22H24ClN5O2 |
| Molecular Weight | 425.9113 |
| SMILES | ClC1=CC2=C(N(C(N2)=O)C2CCN(CC2)CCCN2C(NC3=C2C=CC=C3)=O)C=C1 |
| UNII | 5587267Z69 |
| Synonyms | Apo Domperidone,
Apo-Domperidone,
Domidon,
Domperidon,
Domperidon AL,
Domperidon Hexal,
Domperidon Stada,
Domperidon TEVA,
Domperidon-TEVA,
Domperidona Gamir,
Domperidone,
Domperidone Maleate,
Domperidone Maleate (1:1),
Domperidone Monohydrochloride,
Gamir, Domperidona,
Gastrocure,
Hexal, Domperidon,
Maleate, Domperidone,
Monohydrochloride, Domperidone,
Motilium,
Nauzelin,
Novo Domperidone,
Novo-Domperidone,
Nu Domperidone,
Nu-Domperidone,
Péridys,
PMS Domperidone,
PMS-Domperidone,
R-33,812,
R-33812,
R33,812,
R33812,
ratio Domperidone,
ratio-Domperidone,
Stada, Domperidon,
domperidone,
57808-66-9,
Motilium,
Nauzelin,
Domperidonum,
Domperidona,
Motinorm,
Costi,
Domperidonum [INN-Latin],
Domperidona [INN-Spanish],
Motillium,
R-33812,
4-(5-Chloro-2-oxo-1-benzimidazolinyl)-1-[3-(2-oxobenzimidazolinyl)propyl]piperidine,
NSC299589,
KW-5338,
R 33,812,
Domperidone (Motilium),
Lopac-D-122,
EINECS 260-968-7,
UNII-5587267Z69,
KW 5338,
BRN 0903774,
5-Chloro-1-(1-(3-(2-oxo-1-benzimidazolinyl)propyl)-4-piperidyl)-2-benzimidazolinone,
MLS000069343,
CHEMBL219916,
CHEBI:31515,
MFCD00069256,
6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one,
NSC-299589,
5-Chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one,
Domperidon,
5-Chloro-1-[1-[3-(2-oxo-1-benzimidazolinyl)propyl]-4-piperidyl]-2-benzimidazolinone,
DSSTox_CID_25116,
DSSTox_RID_80682,
DSSTox_GSID_45116,
2H-Benzimidazol-2-one, 5-chloro-1-(1-(3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)-1,3-dihydro-,
5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one,
W-105440,
5587267Z69,
Motilium (TN),
1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)piperidin-1-yl)propyl)-1H-benzo[d]imidazol-2(3H)-one,
2H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-(1-(3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)-,
5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one,
5-chloro-1-(1-(3-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one,
5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one,
SMR000326802,
CAS-57808-66-9,
SR-01000003002,
Domperidone [USAN:BAN:INN:JAN],
Nauzelin OD,
Domperidone,(S),
5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one,
5-chloro-1-{1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one,
Domperidone [USAN:INN:BAN:JAN],
Prestwick_794,
Domperidone,Motilium,
R-33,812,
NCI299589,
Domperidone(Motilium),
HS-0067,
PubChem15679,
Spectrum_000391,
Opera_ID_616,
SpecPlus_000825,
AC1L1FAB,
Prestwick0_000461,
Prestwick1_000461,
Prestwick2_000461,
Prestwick3_000461,
Spectrum4_000087,
D-122,
Biomol-NT_000022,
R33812,
NCIStruc1_001686,
NCIStruc2_001819,
Lopac0_000427,
SCHEMBL43729,
BSPBio_002350,
GTPL965,
KBioGR_000354,
KBioSS_000871,
5-24-02-00402 (Beilstein Handbook Reference),
MLS000859942,
MLS001306482,
MLS002222324,
DivK1c_006921,
SPECTRUM2300212,
SPBio_002501,
BPBio1_000620,
BPBio1_001185,
DTXSID1045116,
CTK8B3352,
Domperidone (JP17/USAN/INN),
KBio1_001865,
KBio2_000871,
KBio2_003439,
KBio2_006007,
KS-00000PNZ,
BBC/763,
FGXWKSZFVQUSTL-UHFFFAOYSA-N,
HMS1922N04,
HMS2089C14,
HMS2093N22,
HMS2096C21,
HMS2230N18,
HMS3261E16,
HMS3269O13,
HMS3370L03,
HMS3656M21,
HMS3677F15,
HMS3713C21,
Pharmakon1600-02300212,
BCP28265,
Domperidone 1.0 mg/ml in Methanol,
EBD46624,
HY-B0411,
ZINC4175569,
ZX-AS004963,
Tox21_110056,
Tox21_500427,
ANW-42358,
BBL028136,
BDBM50241107,
BG0172,
CCG-37870,
CD0227,
GP3849,
NCGC00014670,
NSC759575,
s2461,
STK622843,
AKOS005555858,
Tox21_110056_1,
AC-2037,
AN-5531,
CS-2511,
DB01184,
Domperidone, powder, >=98% (HPLC),
LP00427,
MCULE-4430288884,
NSC-759575,
NCGC00014670-01,
NCGC00014670-02,
NCGC00014670-03,
NCGC00014670-04,
NCGC00014670-05,
NCGC00014670-06,
NCGC00014670-07,
NCGC00014670-08,
NCGC00014670-09,
NCGC00014670-10,
NCGC00014670-11,
NCGC00014670-12,
NCGC00014670-13,
NCGC00014670-14,
NCGC00014670-16,
NCGC00014670-17,
NCGC00015306-01,
NCGC00021472-02,
NCGC00021472-03,
NCGC00021472-04,
NCGC00021472-05,
NCGC00021472-06,
NCGC00021472-07,
NCGC00021472-08,
NCGC00097773-01,
NCGC00261112-01,
5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one,
LS-33301,
NCI60_002512,
SC-18462,
SMR000058969,
AB0110085,
AB1009278,
AB00052423,
D4125,
EU-0100427,
FT-0625588,
SW196931-3,
D01745,
AB00052423-06,
AB00052423-07,
AB00052423_08,
AB00052423_09,
808D669,
L000230,
R 33812,
I01-0054,
SR-01000003002-2,
SR-01000003002-4,
SR-01000003002-7,
BRD-K38305202-001-02-6,
BRD-K38305202-001-08-3,
I14-14161,
Domperidone, European Pharmacopoeia (EP) Reference Standard,
5-Chloro-1-[1-[3-(2-oxo-1-benzimidazolyl)propyl]-4-piperidyl]benzimidazol-2-one,
6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one,
2H-Benzimidazol-2-one,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-,
5-(2,4-dihydroxy-5-isopropylphenyl)-4-(1-methyl-1H-indol-5-yl)-2H-1,2,4-triazol-3(4H)-one,
5-Chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]- 1,3-dihydro-2H-benzimidazol-2-one,
5-Chloro-1-[1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1- yl)propyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one,
5-chloro-1-[1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]piperidine-4-yl]-1,3-dihydro-2H-benzimidazol-2-one;,
5-chloro-1-{1-[3(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one,
5-chloro-1-{1-[3-(1,3-dihydro-2-oxo-2H-benzimidazol-1-yl)propyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one,
5-Chloro-1-{1-[3-(2-hydroxy-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-2,3-dihydro-1H-benzoimidazol-2-ol,
5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one,
5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one(domperidone),
DOMPERIDONE5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one,
peridon,
Ganetespib,
Gastrocure,
Domidon,
Ovaprim,
Peridys,
Apo Domperidone,
Apo-Domperidone,
Nu Domperidone,
Nu-Domperidone,
Domperidon AL,
Domperidon Hexal,
Domperidon Stada,
Novo Domperidone,
Novo-Domperidone,
Domperidone Maleate,
PMS Domperidone,
PMS-Domperidone,
ratio Domperidone,
ratio-Domperidone,
Domperidon TEVA,
Domperidon-TEVA,
Domperidona Gamir,
Hexal, Domperidon,
Stada, Domperidon,
domperidone betadex,
Motillium (TN),
Gamir, Domperidona,
Motinorm (TN),
Maleate, Domperidone,
Costi (TN),
C22H24ClN5O2,
domperidone betacyclodextrin,
D0AV3G,
Domperidone Monohydrochloride,
Domperidone Maleate (1:1),
Monohydrochloride, Domperidone,
Domperidone (JAN/USAN/INN),
CID3151,
C22-H24-Cl-N5-O2,
ACN-052236,
CS-T-21290,
B1481,
A10329,
D004294,
R33,812,
Domperidone, 98%, dopamine blocker and an antidopaminergic reagent - 1G 1g,
2h-bencimidazol-2-ona, 5-cloro-1-[1-[3-(2,3-dihidro-2-oxo-1h-bencimidazol-1-il)propil]-4-piperidinil]-1,3-dihidro-,
2H-Benzimidazol-2-one, 5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-,
6-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one(Domperidone),
888216-25-9,
|
| Complexity | 655 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 425.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 425.917g/mol |
| Monoisotopic Mass | 425.162g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H361-H360 |
| Packing Group | |
| Precautionary statements | P280-P281-P201-P202-P308+P313-P405-P501-P501a |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

