CS-0255345
Ethyl 2-((3-chloropyridin-2-yl)amino)-2-oxoacetate Edoxaban Impurity
Manufacturer: ChemScene
CAS Number: 1700085-03-5
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Purity
97%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₉ClN₂O₃
Molecular Weight
228.63
Synonyms
ethyl 2-((3-chloropyridin-2-yl)amino)-2-oxoacetate
SMILES
O=C(OCC)C(NC1=NC=CC=C1Cl)=O
Tpsa
68.29
Logp
1.2366
H Acceptors
4
H Donors
1
Rotatable Bonds
2
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
3077
Class
9
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
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Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉ClN₂O₃
Molecular Weight: 228.63
Synonyms: ethyl 2-((3-chloropyridin-2-yl)amino)-2-oxoacetate
SMILES: O=C(OCC)C(NC1=NC=CC=C1Cl)=O
Tpsa: 68.29
Logp: 1.2366
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉ClN₂O₃
Molecular Weight:
228.63
Synonyms:
ethyl 2-((3-chloropyridin-2-yl)amino)-2-oxoacetate
SMILES:
O=C(OCC)C(NC1=NC=CC=C1Cl)=O
Tpsa:
68.29
Logp:
1.2366
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₂₅N₃O₆S₂
Molecular Weight: 611.69
Synonyms: None
SMILES: O=S(C1=CC=C(C2=C(C)ON=C2C3=CC=CC=C3)C=C1)(NS(=O)(C4=CC=C(C5=C(C)ON=C5C6=CC=CC=C6)C=C4)=O)=O
Tpsa: 132.37
Logp: 6.61464
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₂₅N₃O₆S₂
Molecular Weight:
611.69
Synonyms:
None
SMILES:
O=S(C1=CC=C(C2=C(C)ON=C2C3=CC=CC=C3)C=C1)(NS(=O)(C4=CC=C(C5=C(C)ON=C5C6=CC=CC=C6)C=C4)=O)=O
Tpsa:
132.37
Logp:
6.61464
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
8
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉ClN₂O₃
Molecular Weight: 228.63
Synonyms: None
SMILES: O=C(C(OCC)=O)NC1=CC(Cl)=CC=N1
Tpsa: 68.29
Logp: 1.2366
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉ClN₂O₃
Molecular Weight:
228.63
Synonyms:
None
SMILES:
O=C(C(OCC)=O)NC1=CC(Cl)=CC=N1
Tpsa:
68.29
Logp:
1.2366
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₈N₂O₄S
Molecular Weight: 370.42
Synonyms: Valdecoxib IMpurity K
SMILES: CCC(NS(=O)(C1=CC=CC(C2=C(C)ON=C2C3=CC=CC=C3)=C1)=O)=O
Tpsa: 89.27
Logp: 3.53192
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₈N₂O₄S
Molecular Weight:
370.42
Synonyms:
Valdecoxib IMpurity K
SMILES:
CCC(NS(=O)(C1=CC=CC(C2=C(C)ON=C2C3=CC=CC=C3)=C1)=O)=O
Tpsa:
89.27
Logp:
3.53192
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
5