CS-0311340
2-(((3aR,4S,6R,6aS)-6-(7-(((1S,2R)-2-(3,4-Difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)oxy)acetic acid Ticagrelor Impurity
Manufacturer: ChemScene
CAS Number: 1402150-34-8
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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
C₂₆H₃₀F₂N₆O₅S
Molecular Weight
576.62
Synonyms
Ticagrelor Impurity E (UL133)
SMILES
CCCSC(N=C12)=NC(N[C@@H]3[C@@H](C4=CC=C(F)C(F)=C4)C3)=C1N=NN2[C@H]5[C@H]6[C@H](OC(C)(C)O6)[C@@H](OCC(O)=O)C5
Tpsa
133.51
Logp
3.9043
H Acceptors
11
H Donors
2
Rotatable Bonds
10
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: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₃₀F₂N₆O₅S
Molecular Weight: 576.62
Synonyms: Ticagrelor Impurity E (UL133)
SMILES: CCCSC(N=C12)=NC(N[C@@H]3[C@@H](C4=CC=C(F)C(F)=C4)C3)=C1N=NN2[C@H]5[C@H]6[C@H](OC(C)(C)O6)[C@@H](OCC(O)=O)C5
Tpsa: 133.51
Logp: 3.9043
H Acceptors: 11
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₃₀F₂N₆O₅S
Molecular Weight:
576.62
Synonyms:
Ticagrelor Impurity E (UL133)
SMILES:
CCCSC(N=C12)=NC(N[C@@H]3[C@@H](C4=CC=C(F)C(F)=C4)C3)=C1N=NN2[C@H]5[C@H]6[C@H](OC(C)(C)O6)[C@@H](OCC(O)=O)C5
Tpsa:
133.51
Logp:
3.9043
H Acceptors:
11
H Donors:
2
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₄F₃N₃O₄S
Molecular Weight: 413.37
Synonyms: None
SMILES: O=S(C1=CC=C(N2N=C(C(F)(F)F)C=C2C3=CC=C(COO)C=C3)C=C1)(N)=O
Tpsa: 107.44
Logp: 3.1951
H Acceptors: 6
H Donors: 2
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:
C₁₇H₁₄F₃N₃O₄S
Molecular Weight:
413.37
Synonyms:
None
SMILES:
O=S(C1=CC=C(N2N=C(C(F)(F)F)C=C2C3=CC=C(COO)C=C3)C=C1)(N)=O
Tpsa:
107.44
Logp:
3.1951
H Acceptors:
6
H Donors:
2
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: C₁₈H₁₆F₃N₃O₂S
Molecular Weight: 395.40
Synonyms: 4-[5-(2,4-Dimethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
SMILES: O=S(C1=CC=C(N2N=C(C(F)(F)F)C=C2C3=CC=C(C)C=C3C)C=C1)(N)=O
Tpsa: 77.98
Logp: 3.82234
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:
C₁₈H₁₆F₃N₃O₂S
Molecular Weight:
395.40
Synonyms:
4-[5-(2,4-Dimethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
SMILES:
O=S(C1=CC=C(N2N=C(C(F)(F)F)C=C2C3=CC=C(C)C=C3C)C=C1)(N)=O
Tpsa:
77.98
Logp:
3.82234
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₉Cl₂N₃O₂S
Molecular Weight: 354.21
Synonyms: None
SMILES: O=C(C1=NN=C(C2=CC=CS2)O1)NCC3=CC=C(Cl)C(Cl)=C3
Tpsa: 68.02
Logp: 4.0349
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₉Cl₂N₃O₂S
Molecular Weight:
354.21
Synonyms:
None
SMILES:
O=C(C1=NN=C(C2=CC=CS2)O1)NCC3=CC=C(Cl)C(Cl)=C3
Tpsa:
68.02
Logp:
4.0349
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4