CS-0198386
2-(((1R,2S,5S)-2-(2-((5-Chloropyridin-2-yl)amino)-2-oxoacetamido)-5-(dimethylcarbamoyl)cyclohexyl)carbamoyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 5-oxide（Edoxaban Impurity）
Manufacturer: ChemScene
CAS Number: 2244103-96-4
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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
C₂₄H₃₀ClN₇O₅S
Molecular Weight
564.06
Synonyms
Edoxaban N-oxide
SMILES
CN(C)C([C@H](C[C@H]1NC(C2=NC(CC[N+](C)([O-])C3)=C3S2)=O)CC[C@@H]1NC(C(NC4=NC=C(Cl)C=C4)=O)=O)=O
Tpsa
156.45
Logp
1.3022
H Acceptors
8
H Donors
3
Rotatable Bonds
5
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: C₂₄H₃₀ClN₇O₅S
Molecular Weight: 564.06
Synonyms: Edoxaban N-oxide
SMILES: CN(C)C([C@H](C[C@H]1NC(C2=NC(CC[N+](C)([O-])C3)=C3S2)=O)CC[C@@H]1NC(C(NC4=NC=C(Cl)C=C4)=O)=O)=O
Tpsa: 156.45
Logp: 1.3022
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₀ClN₇O₅S
Molecular Weight:
564.06
Synonyms:
Edoxaban N-oxide
SMILES:
CN(C)C([C@H](C[C@H]1NC(C2=NC(CC[N+](C)([O-])C3)=C3S2)=O)CC[C@@H]1NC(C(NC4=NC=C(Cl)C=C4)=O)=O)=O
Tpsa:
156.45
Logp:
1.3022
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₅Cl₂N₇O₅
Molecular Weight: 550.39
Synonyms: INDEX NAME NOT YET ASSIGNED
SMILES: CN(C)C([C@H](C[C@H]1NC(C(NC2=NC=C(Cl)C=C2)=O)=O)CC[C@@H]1NC(C(NC3=NC=C(Cl)C=C3)=O)=O)=O
Tpsa: 162.49
Logp: 1.2185
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₅Cl₂N₇O₅
Molecular Weight:
550.39
Synonyms:
INDEX NAME NOT YET ASSIGNED
SMILES:
CN(C)C([C@H](C[C@H]1NC(C(NC2=NC=C(Cl)C=C2)=O)=O)CC[C@@H]1NC(C(NC3=NC=C(Cl)C=C3)=O)=O)=O
Tpsa:
162.49
Logp:
1.2185
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₉Cl₂N₇O₄S
Molecular Weight: 582.50
Synonyms: None
SMILES: CN(C)C([C@H](C[C@H]1NC(C2=NC(CCN(C)C3)=C3S2)=O)CC[C@@H]1NC(C(NC4=NC=C(Cl)C=C4Cl)=O)=O)=O
Tpsa: 136.63
Logp: 1.943
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₉Cl₂N₇O₄S
Molecular Weight:
582.50
Synonyms:
None
SMILES:
CN(C)C([C@H](C[C@H]1NC(C2=NC(CCN(C)C3)=C3S2)=O)CC[C@@H]1NC(C(NC4=NC=C(Cl)C=C4Cl)=O)=O)=O
Tpsa:
136.63
Logp:
1.943
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₀ClN₇O₄S
Molecular Weight: 548.06
Synonyms: None
SMILES: CN(C)C([C@H](C[C@H]1NC(C2=NC(CCN(C)C3)=C3S2)=O)CC[C@@H]1NC(C(NC4=NC=CC=C4Cl)=O)=O)=O
Tpsa: 136.63
Logp: 1.2896
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₀ClN₇O₄S
Molecular Weight:
548.06
Synonyms:
None
SMILES:
CN(C)C([C@H](C[C@H]1NC(C2=NC(CCN(C)C3)=C3S2)=O)CC[C@@H]1NC(C(NC4=NC=CC=C4Cl)=O)=O)=O
Tpsa:
136.63
Logp:
1.2896
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
5