CS-0531898
1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)pyridin-1-ium chloride Droperidol Impurity
Manufacturer: ChemScene
CAS Number: 60373-76-4
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₂H₁₉ClFN₃O₂
Molecular Weight
411.86
Synonyms
3-[1-[4-(4-fluorophenyl)-4-oxobutyl]pyridin-1-ium-4-yl]-1H-benzimidazol-2-one; chloride
SMILES
O=C1NC2=C(N1C3=CC=[N+](CCCC(C4=CC=C(C=C4)F)=O)C=C3)C=CC=C2.[Cl-]
Tpsa
58.74
Logp
0.4125
H Acceptors
3
H Donors
1
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 60373-76-4 | Pyridinium, 4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-, chloride (1:1) | A2B Chem | -- |
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Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₉ClFN₃O₂
Molecular Weight: 411.86
Synonyms: 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]pyridin-1-ium-4-yl]-1H-benzimidazol-2-one; chloride
SMILES: O=C1NC2=C(N1C3=CC=[N+](CCCC(C4=CC=C(C=C4)F)=O)C=C3)C=CC=C2.[Cl-]
Tpsa: 58.74
Logp: 0.4125
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₉ClFN₃O₂
Molecular Weight:
411.86
Synonyms:
3-[1-[4-(4-fluorophenyl)-4-oxobutyl]pyridin-1-ium-4-yl]-1H-benzimidazol-2-one; chloride
SMILES:
O=C1NC2=C(N1C3=CC=[N+](CCCC(C4=CC=C(C=C4)F)=O)C=C3)C=CC=C2.[Cl-]
Tpsa:
58.74
Logp:
0.4125
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₄O₄
Molecular Weight: 186.21
Synonyms: None
SMILES: CC(C(OCC=C)(O1)C)(OC1=O)C
Tpsa: 44.76
Logp: 1.8506
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₄O₄
Molecular Weight:
186.21
Synonyms:
None
SMILES:
CC(C(OCC=C)(O1)C)(OC1=O)C
Tpsa:
44.76
Logp:
1.8506
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆F₂N₂
Molecular Weight: 168.14
Synonyms: None
SMILES: FC(C1=CC=CC2=C1NN=C2)F
Tpsa: 28.68
Logp: 2.5005
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆F₂N₂
Molecular Weight:
168.14
Synonyms:
None
SMILES:
FC(C1=CC=CC2=C1NN=C2)F
Tpsa:
28.68
Logp:
2.5005
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₄H₃₄N₆O₃
Molecular Weight: 574.67
Synonyms: 4-Desfluoro-4-[4-(2-Oxo-2,3-dihydro-1H-benzimidazol-1-yl)-3,6-dihydropyridin-1(2H)-yl] Droperidol
SMILES: O=C1NC2=C(N1C3=CCN(CC3)C4=CC=C(C(CCCN5CC=C(CC5)N6C(NC7=C6C=CC=C7)=O)=O)C=C4)C=CC=C2
Tpsa: 99.13
Logp: 4.9335
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₄N₆O₃
Molecular Weight:
574.67
Synonyms:
4-Desfluoro-4-[4-(2-Oxo-2,3-dihydro-1H-benzimidazol-1-yl)-3,6-dihydropyridin-1(2H)-yl] Droperidol
SMILES:
O=C1NC2=C(N1C3=CCN(CC3)C4=CC=C(C(CCCN5CC=C(CC5)N6C(NC7=C6C=CC=C7)=O)=O)C=C4)C=CC=C2
Tpsa:
99.13
Logp:
4.9335
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
8