CS-0567003
N1-(4-Chloropyridin-2-yl)-N2-((1R,2S,4R)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide Edoxaban Impurity
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₄H₃₀ClN₇O₄S
Molecular Weight
548.06
Synonyms
None
SMILES
O=C(C1=NC2=C(CN(CC2)C)S1)N[C@@H]3[C@H](NC(C(NC4=CC(Cl)=CC=N4)=O)=O)CC[C@@H](C(N(C)C)=O)C3
Tpsa
136.63
Logp
1.2896
H Acceptors
8
H Donors
3
Rotatable Bonds
5
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: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₀ClN₇O₄S
Molecular Weight: 548.06
Synonyms: None
SMILES: O=C(C1=NC2=C(CN(CC2)C)S1)N[C@@H]3[C@H](NC(C(NC4=CC(Cl)=CC=N4)=O)=O)CC[C@@H](C(N(C)C)=O)C3
Tpsa: 136.63
Logp: 1.2896
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₀ClN₇O₄S
Molecular Weight:
548.06
Synonyms:
None
SMILES:
O=C(C1=NC2=C(CN(CC2)C)S1)N[C@@H]3[C@H](NC(C(NC4=CC(Cl)=CC=N4)=O)=O)CC[C@@H](C(N(C)C)=O)C3
Tpsa:
136.63
Logp:
1.2896
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₀ClN₇O₄S
Molecular Weight: 548.06
Synonyms: None
SMILES: O=C(C1=NC2=C(CN(CC2)C)S1)N[C@@H]3[C@H](NC(C(NC4=CC=CC(Cl)=N4)=O)=O)CC[C@@H](C(N(C)C)=O)C3
Tpsa: 136.63
Logp: 1.2896
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₀ClN₇O₄S
Molecular Weight:
548.06
Synonyms:
None
SMILES:
O=C(C1=NC2=C(CN(CC2)C)S1)N[C@@H]3[C@H](NC(C(NC4=CC=CC(Cl)=N4)=O)=O)CC[C@@H](C(N(C)C)=O)C3
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: C₂₅H₃₃N₅O₄S
Molecular Weight: 499.63
Synonyms: None
SMILES: O=C(OCC1=CC=CC=C1)N[C@@H](CC[C@@H](C2)C(N(C)C)=O)[C@@H]2NC(C3=NC(CCN(C4)C)=C4S3)=O
Tpsa: 103.87
Logp: 2.4127
H Acceptors: 7
H Donors: 2
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:
C₂₅H₃₃N₅O₄S
Molecular Weight:
499.63
Synonyms:
None
SMILES:
O=C(OCC1=CC=CC=C1)N[C@@H](CC[C@@H](C2)C(N(C)C)=O)[C@@H]2NC(C3=NC(CCN(C4)C)=C4S3)=O
Tpsa:
103.87
Logp:
2.4127
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: MFCD30747237
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₈N₄O₂S
Molecular Weight: 402.47
Synonyms: None
SMILES: O=S(C1=C(C=CC=C1)C(NC)=O)C2=CC=C3C(/C=C/C4=CC=CC=N4)=NNC3=C2
Tpsa: 87.74
Logp: 3.6546
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
MFCD30747237
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₈N₄O₂S
Molecular Weight:
402.47
Synonyms:
None
SMILES:
O=S(C1=C(C=CC=C1)C(NC)=O)C2=CC=C3C(/C=C/C4=CC=CC=N4)=NNC3=C2
Tpsa:
87.74
Logp:
3.6546
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
5