CS-0644833
(Z)-N-((2,5-Dichloro-4-methylpyridin-3-yl)(((4-hydroxy-3-methoxy-5-nitrobenzoyl)oxy)imino)methyl)-4-hydroxy-3-methoxy-5-nitrobenzamide Opicapone impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₂₃H₁₇Cl₂N₅O₁₁
Molecular Weight
610.31
Synonyms
None
SMILES
COC1=CC(C(N/C(C2=C(C(Cl)=CN=C2Cl)C)=N\OC(C3=CC([N+]([O-])=O)=C(C(OC)=C3)O)=O)=O)=CC([N+]([O-])=O)=C1O
Tpsa
225.85
Logp
3.89022
H Acceptors
13
H Donors
3
Rotatable Bonds
8
Other Options
...
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: C₂₃H₁₇Cl₂N₅O₁₁
Molecular Weight: 610.31
Synonyms: None
SMILES: COC1=CC(C(N/C(C2=C(C(Cl)=CN=C2Cl)C)=N\OC(C3=CC([N+]([O-])=O)=C(C(OC)=C3)O)=O)=O)=CC([N+]([O-])=O)=C1O
Tpsa: 225.85
Logp: 3.89022
H Acceptors: 13
H Donors: 3
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:
C₂₃H₁₇Cl₂N₅O₁₁
Molecular Weight:
610.31
Synonyms:
None
SMILES:
COC1=CC(C(N/C(C2=C(C(Cl)=CN=C2Cl)C)=N\OC(C3=CC([N+]([O-])=O)=C(C(OC)=C3)O)=O)=O)=CC([N+]([O-])=O)=C1O
Tpsa:
225.85
Logp:
3.89022
H Acceptors:
13
H Donors:
3
Rotatable Bonds:
8
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₁NO₃S
Molecular Weight: 285.32
Synonyms: None
SMILES: O=C(C(N1SC2=C(C1=O)C=CC=C2)C3=CC=CC=C3)O
Tpsa: 59.3
Logp: 2.737
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₁NO₃S
Molecular Weight:
285.32
Synonyms:
None
SMILES:
O=C(C(N1SC2=C(C1=O)C=CC=C2)C3=CC=CC=C3)O
Tpsa:
59.3
Logp:
2.737
H Acceptors:
4
H Donors:
1
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: C₁₅H₁₀Cl₂N₄O₆
Molecular Weight: 413.17
Synonyms: None
SMILES: ClC1=NC(CO)=C(C(C)=C1C2=NOC(C3=CC([N+]([O-])=O)=C(C(O)=C3)O)=N2)Cl
Tpsa: 155.64
Logp: 3.22552
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₀Cl₂N₄O₆
Molecular Weight:
413.17
Synonyms:
None
SMILES:
ClC1=NC(CO)=C(C(C)=C1C2=NOC(C3=CC([N+]([O-])=O)=C(C(O)=C3)O)=N2)Cl
Tpsa:
155.64
Logp:
3.22552
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₃O₄P
Molecular Weight: 262.28
Synonyms: None
SMILES: O=C(CP(OCC)(OCC)=O)C1CCCCC1
Tpsa: 52.6
Logp: 3.4019
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₃O₄P
Molecular Weight:
262.28
Synonyms:
None
SMILES:
O=C(CP(OCC)(OCC)=O)C1CCCCC1
Tpsa:
52.6
Logp:
3.4019
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
7