CS-0532796
1-(2-((3,4-Dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole Miconazole Impurity
Manufacturer: ChemScene
CAS Number: 47447-55-2
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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
C₁₈H₁₄Cl₄N₂O
Molecular Weight
416.13
Synonyms
Miconazole Related Compound F (1-{2-[(3,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole)
SMILES
ClC1=CC=C(C(CN2C=NC=C2)OCC3=CC=C(C(Cl)=C3)Cl)C(Cl)=C1
Tpsa
27.05
Logp
6.4548
H Acceptors
3
H Donors
0
Rotatable Bonds
6
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
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: C₁₈H₁₄Cl₄N₂O
Molecular Weight: 416.13
Synonyms: Miconazole Related Compound F (1-{2-[(3,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole)
SMILES: ClC1=CC=C(C(CN2C=NC=C2)OCC3=CC=C(C(Cl)=C3)Cl)C(Cl)=C1
Tpsa: 27.05
Logp: 6.4548
H Acceptors: 3
H Donors: 0
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:
C₁₈H₁₄Cl₄N₂O
Molecular Weight:
416.13
Synonyms:
Miconazole Related Compound F (1-{2-[(3,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole)
SMILES:
ClC1=CC=C(C(CN2C=NC=C2)OCC3=CC=C(C(Cl)=C3)Cl)C(Cl)=C1
Tpsa:
27.05
Logp:
6.4548
H Acceptors:
3
H Donors:
0
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: C₂₉H₃₁ClN₂O
Molecular Weight: 459.02
Synonyms: 4-(4-(4-Chlorophenyl)-3,6-dihydropyridin-1(2H)-yl)-N,N-dimethyl-2,2-diphenylbutanamide
SMILES: O=C(C(C1=CC=CC=C1)(CCN2CC=C(CC2)C3=CC=C(Cl)C=C3)C4=CC=CC=C4)N(C)C
Tpsa: 23.55
Logp: 5.8937
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₁ClN₂O
Molecular Weight:
459.02
Synonyms:
4-(4-(4-Chlorophenyl)-3,6-dihydropyridin-1(2H)-yl)-N,N-dimethyl-2,2-diphenylbutanamide
SMILES:
O=C(C(C1=CC=CC=C1)(CCN2CC=C(CC2)C3=CC=C(Cl)C=C3)C4=CC=CC=C4)N(C)C
Tpsa:
23.55
Logp:
5.8937
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₃NO₁₂S
Molecular Weight: 595.62
Synonyms: None
SMILES: COC1=C2C(C([C@H](CCC2=CC(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=C1OC)NC(C)=O)=C4)=CC=C(S(C)(=O)=O)C4=O
Tpsa: 198.15
Logp: -0.5634
H Acceptors: 12
H Donors: 5
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₃NO₁₂S
Molecular Weight:
595.62
Synonyms:
None
SMILES:
COC1=C2C(C([C@H](CCC2=CC(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=C1OC)NC(C)=O)=C4)=CC=C(S(C)(=O)=O)C4=O
Tpsa:
198.15
Logp:
-0.5634
H Acceptors:
12
H Donors:
5
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₅Cl₃N₂O
Molecular Weight: 381.68
Synonyms: Miconazole Impurity I
SMILES: ClC1=CC=C(C(CN2C=NC=C2)OCC3=C(Cl)C=CC=C3)C(Cl)=C1
Tpsa: 27.05
Logp: 5.8014
H Acceptors: 3
H Donors: 0
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:
C₁₈H₁₅Cl₃N₂O
Molecular Weight:
381.68
Synonyms:
Miconazole Impurity I
SMILES:
ClC1=CC=C(C(CN2C=NC=C2)OCC3=C(Cl)C=CC=C3)C(Cl)=C1
Tpsa:
27.05
Logp:
5.8014
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6