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| CAS Number | 548-73-2 |
| Catalog Number | AG003AX8(AGN-PC-0SI537) |
| Chemical Name | Droperidol |
| EC Number | 208-957-8 |
| IUPAC Name | 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one |
| InChI | InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28) |
| InChI Key | RMEDXOLNCUSCGS-UHFFFAOYSA-N |
| MDL Number | MFCD00083290 |
| Molecular Formula | C22H22FN3O2 |
| Molecular Weight | 379.4274 |
| SMILES | FC1=CC=C(C=C1)C(CCCN1CCC(=CC1)N1C(NC2=C1C=CC=C2)=O)=O |
| UNII | O9U0F09D5X |
| Synonyms | Dehidrobenzperidol,
Dehydrobenzperidol,
Droleptan,
Droperidol,
Inapsine,
droperidol,
548-73-2,
Droleptan,
Inapsine,
Dehydrobenzperidol,
Dridol,
Properidol,
Sintodril,
Sintosian,
Inapsin,
Vetkalm,
Halkan,
Deidrobenzperidolo,
DHBP,
Inopsin,
Innovar,
Droperidolum,
Inappin,
Innovan,
McN-JR-4749,
Inoval,
Dehidrobenzperidol,
Droperidolo,
Leptofen,
Thalamanol,
Thalamonal,
Innovar-vet,
Dihidrobenzperidol,
Dehydrobenzoperidol,
Droperidolo [DCIT],
R-4749,
McN-JR 4749,
Droperidolum [INN-Latin],
component of Innovar,
R 4749,
NSC 169874,
UNII-O9U0F09D5X,
CCRIS 9070,
C22H22FN3O2,
HSDB 3320,
R4749,
1-(1-(3-(p-Fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone,
1-(1-(4-(p-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone,
EINECS 208-957-8,
BRN 0579168,
CHEMBL1108,
1-[1-[3-(p-Fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone,
MLS000028671,
CHEBI:4717,
O9U0F09D5X,
2H-Benzimidazol-2-one, 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-,
RMEDXOLNCUSCGS-UHFFFAOYSA-N,
MFCD00083290,
NSC169874,
3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one,
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one,
2H-Benzimidazol-2-one, 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1,3-dihydro-,
NCGC00016504-01,
CAS-548-73-2,
SMR000058855,
DSSTox_CID_2973,
DSSTox_RID_76811,
DSSTox_GSID_22973,
1-{1-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1,3-dihydro-benzoimidazol-2-one,
W-105600,
Neurolidol,
Ina.psi.ne,
Ina.psi.n,
Ino.psi.n,
1-[1-[4-(p-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone,
2-Benzimidazolinone, 1-(1-(3-(p-fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-,
2-Benzimidazolinone, 1-[1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-,
3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one,
Droleptan (TN),
1-(1-(4-(4-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1,3-dihydro-2H-benzimidazol-2-one,
1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one,
1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one,
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl}-2,3-dihydro-1H-benzo[d]imidazol-2-one,
Droperidol [USAN:INN:BAN:JAN],
SR-05000001546,
INAPSINE (TN),
Droperidol USP,
1-(1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone,
1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-2h-benzimidazol-2-one,
Prestwick_705,
Innovar (Salt/Mix),
Droperidol [USAN:USP:INN:BAN:JAN],
HS-0065,
Leptanal (Salt/Mix),
Leptofen (Salt/Mix),
Spectrum_001220,
Thalamonal (Salt/Mix),
AC1L1FBQ,
Innovar-vet (Salt/Mix),
Opera_ID_1751,
Prestwick0_000360,
Prestwick1_000360,
Prestwick2_000360,
Prestwick3_000360,
Spectrum2_001386,
Spectrum3_001426,
Spectrum4_000407,
Spectrum5_001305,
SCHEMBL41426,
BSPBio_000459,
BSPBio_003132,
KBioGR_000674,
KBioSS_001700,
5-24-02-00388 (Beilstein Handbook Reference),
MLS000758203,
MLS001148120,
MLS001424134,
MLS002153445,
DivK1c_000103,
SPECTRUM1501002,
SPBio_001372,
SPBio_002380,
BPBio1_000505,
Droperidol (JP17/USP/INN),
GTPL7172,
DTXSID6022973,
CTK7B9727,
CTK8F9380,
HMS500F05,
KBio1_000103,
KBio2_001700,
KBio2_004268,
KBio2_006836,
KBio3_002352,
KS-00000XNO,
NINDS_000103,
HMS1569G21,
HMS1921B03,
HMS2051L06,
HMS2092O16,
HMS2096G21,
HMS2232M09,
HMS3374B05,
HMS3393L06,
HMS3652M12,
HMS3713G21,
Pharmakon1600-01501002,
HY-B1240,
Tox21_110461,
BDBM50017705,
CCG-39004,
NSC757819,
s4096,
STL453109,
ZINC19796080,
AKOS015960779,
Tox21_110461_1,
AC-3537,
CCG-101004,
CS-4886,
DB00450,
NC00254,
NSC-169874,
NSC-757819,
VA10777,
1-1-[3-(p-Fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl-2-benzimidazolinone,
IDI1_000103,
NCGC00016504-02,
NCGC00016504-03,
NCGC00016504-04,
NCGC00016504-05,
NCGC00016504-06,
NCGC00016504-09,
NCGC00016504-17,
NCGC00094884-01,
NCGC00094884-02,
AN-12875,
BC204193,
CPD000058855,
H920,
LS-33253,
SAM001247013,
SBI-0051628.P002,
Droperidol 1.0 mg/ml in Dimethyl Sulfoxide,
AK00094085,
FT-0655846,
SW220019-1,
D00308,
AB00052191_04,
AB00052191_05,
WLN: T56 BMVNJ D3- DT6N CUTJ A3VR DF,
548D732,
A830387,
C-55183,
L001006,
I14-2728,
SR-05000001546-1,
SR-05000001546-2,
SR-05000001546-3,
BRD-K97158071-001-05-8,
BRD-K97158071-001-08-2,
Droperidol, British Pharmacopoeia (BP) Reference Standard,
Droperidol, European Pharmacopoeia (EP) Reference Standard,
Droperidol, United States Pharmacopeia (USP) Reference Standard,
2H-Benzimidazol-2-one,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-,
1-[1-[3-(p-Fluorobenzoyl)propyl]-1,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone,
1-[1-[4-(p-Fluorophenyl)-4-oxobutyl]-1,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone,
1-1-[3-(p-Fluorobenzoyl)propyl]-1,3,6-tetrahydro-4-pyridyl-2-benzimidazolinone,
2H-Pyrrolo[3,2-b]pyridin-2-one, 1,3-dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-,
gamma-[4-(2-oxo-1-benzimidazolinyl)-1,2,3,6-tetrahydro-1-pyridyl]-p-fluorobutyrophenone,
1-(4-fluorophenyl)-4-[4-(2-hydroxy-1H-1,3-benzodiazol-1-yl)-1,2,3,6-tetrahydropyridin-1-yl]butan-1-one,
1-(4-fluorophenyl)-4-[4-(2-hydroxy-1h-benzimidazol-1-yl)-3,6-dihydropyridin-1(2h)-yl]butan-1-one,
1-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-3H-benzoimidazol-2-one,
1-{1-[4-(4-Chloro-phenyl)-4-oxo-butyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1,3-dihydro-benzoimidazol-2-one(Droperidol),
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one,
2H-Benzimidazol-2-one,1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-,
3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one,
Leptanal,
Mixture Name,
Dropletan (TN),
Dridol (TN),
Kern Brand of Droperidol,
D03CJL,
Taylor Brand of Droperidol,
Janssen Brand of Droperidol,
Droperidol (JP15/USP/INN),
CID3168,
Droperidol [USAN:BAN:INN:JAN],
C22-H22-F-N3-O2,
FENTANYL CITRATE AND DROPERIDOL,
CS-T-21406,
GW441756,
1-[1-[4-(p-F,
B1736,
2-Benzimidazolinone, 1-[1-[3-(p-fluorobenz,
D004329,
2-Benzimidazolinone,2,3,6-tetrahydro-4-pyridyl]-,
luorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone,
1-(1-[4-FLUOROBENZOYLPROPYL]-1,2,3,6-TETRAHYDRO-4-PYRIDYL)-2-BENZIMIDAZOL,
504433-23-2,
|
| Complexity | 615 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.435g/mol |
| Monoisotopic Mass | 379.17g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302 |
| Packing Group | |
| Precautionary statements | P301+P312+P330 |
| UN Code |
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| Chemical Structure: | CAS Registry No: | |
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