CS-0716543
2-(((3aR,4S,6R,6aS)-2,2-Dimethyl-6-((5-nitro-2-(propylthio)pyrimidin-4-yl)amino)tetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethan-1-ol Ticagrelor Impurity
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
4°C, protect from light, stored under nitrogen
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₇H₂₆N₄O₆S
Molecular Weight
414.48
Synonyms
None
SMILES
OCCO[C@@H]1[C@@H](OC(C)(C)O2)[C@@H]2[C@H](NC3=C([N+]([O-])=O)C=NC(SCCC)=N3)C1
Tpsa
128.87
Logp
1.9687
H Acceptors
10
H Donors
2
Rotatable Bonds
9
Other Options
...
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SAFETY INFORMATION
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, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₆N₄O₆S
Molecular Weight: 414.48
Synonyms: None
SMILES: OCCO[C@@H]1[C@@H](OC(C)(C)O2)[C@@H]2[C@H](NC3=C([N+]([O-])=O)C=NC(SCCC)=N3)C1
Tpsa: 128.87
Logp: 1.9687
H Acceptors: 10
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₆N₄O₆S
Molecular Weight:
414.48
Synonyms:
None
SMILES:
OCCO[C@@H]1[C@@H](OC(C)(C)O2)[C@@H]2[C@H](NC3=C([N+]([O-])=O)C=NC(SCCC)=N3)C1
Tpsa:
128.87
Logp:
1.9687
H Acceptors:
10
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₈N₄O₄S
Molecular Weight: 384.49
Synonyms: None
SMILES: OCCO[C@@H]1[C@@H](OC(C)(C)O2)[C@@H]2[C@H](NC3=C(N)C=NC(SCCC)=N3)C1
Tpsa: 111.75
Logp: 1.6427
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₈N₄O₄S
Molecular Weight:
384.49
Synonyms:
None
SMILES:
OCCO[C@@H]1[C@@H](OC(C)(C)O2)[C@@H]2[C@H](NC3=C(N)C=NC(SCCC)=N3)C1
Tpsa:
111.75
Logp:
1.6427
H Acceptors:
9
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: C₉H₁₁ClN₂O₄
Molecular Weight: 246.65
Synonyms: None
SMILES: OC([C@@H](N)CC1=CC=C(C=C1)N(=O)=O)=O.Cl
Tpsa: 106.46
Logp: 0.971
H Acceptors: 4
H Donors: 2
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:
C₉H₁₁ClN₂O₄
Molecular Weight:
246.65
Synonyms:
None
SMILES:
OC([C@@H](N)CC1=CC=C(C=C1)N(=O)=O)=O.Cl
Tpsa:
106.46
Logp:
0.971
H Acceptors:
4
H Donors:
2
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: C₁₁H₁₂Cl₂N₂O
Molecular Weight: 259.13
Synonyms: None
SMILES: O=C([C@@H](CC1)N)N1CC2=C(C=C(C=C2)Cl)Cl
Tpsa: 46.33
Logp: 2.053
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂Cl₂N₂O
Molecular Weight:
259.13
Synonyms:
None
SMILES:
O=C([C@@H](CC1)N)N1CC2=C(C=C(C=C2)Cl)Cl
Tpsa:
46.33
Logp:
2.053
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2