CS-1003366
Ticagrelor Impurity 144
Manufacturer: ChemScene
CAS Number: 274693-25-3
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₇H₃₂F₂N₆O₅S
Molecular Weight
590.64
Synonyms
None
SMILES
O(CC(OC)=O)[C@H]1C[C@H]([C@]2([C@@]1(OC(C)(C)O2)[H])[H])N3C=4C(N=N3)=C(N[C@H]5[C@@H](C5)C6=CC(F)=C(F)C=C6)N=C(SCCC)N4
Tpsa
122.51
Logp
3.9927
H Acceptors
12
H Donors
1
Rotatable Bonds
10
Other Options
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₂F₂N₆O₅S
Molecular Weight: 590.64
Synonyms: None
SMILES: O(CC(OC)=O)[C@H]1C[C@H]([C@]2([C@@]1(OC(C)(C)O2)[H])[H])N3C=4C(N=N3)=C(N[C@H]5[C@@H](C5)C6=CC(F)=C(F)C=C6)N=C(SCCC)N4
Tpsa: 122.51
Logp: 3.9927
H Acceptors: 12
H Donors: 1
Rotatable Bonds: 10
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₂F₂N₆O₅S
Molecular Weight:
590.64
Synonyms:
None
SMILES:
O(CC(OC)=O)[C@H]1C[C@H]([C@]2([C@@]1(OC(C)(C)O2)[H])[H])N3C=4C(N=N3)=C(N[C@H]5[C@@H](C5)C6=CC(F)=C(F)C=C6)N=C(SCCC)N4
Tpsa:
122.51
Logp:
3.9927
H Acceptors:
12
H Donors:
1
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: C₁₄H₁₈N₂O₅S₂
Molecular Weight: 358.43
Synonyms: None
SMILES: C(NC(C(C(O)=O)C=1C=CSC1)=O)C2N[C@@H](C(O)=O)C(C)(C)S2
Tpsa: 115.73
Logp: 0.9268
H Acceptors: 6
H Donors: 4
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:
C₁₄H₁₈N₂O₅S₂
Molecular Weight:
358.43
Synonyms:
None
SMILES:
C(NC(C(C(O)=O)C=1C=CSC1)=O)C2N[C@@H](C(O)=O)C(C)(C)S2
Tpsa:
115.73
Logp:
0.9268
H Acceptors:
6
H Donors:
4
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: C₁₃H₁₇NO₄
Molecular Weight: 251.28
Synonyms: None
SMILES: O=C1NC=2C=CC=C(OCC(O)COC)C2CC1
Tpsa: 67.79
Logp: 0.9574
H Acceptors: 4
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:
C₁₃H₁₇NO₄
Molecular Weight:
251.28
Synonyms:
None
SMILES:
O=C1NC=2C=CC=C(OCC(O)COC)C2CC1
Tpsa:
67.79
Logp:
0.9574
H Acceptors:
4
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: C₄₆H₅₅F₆N₃O₄
Molecular Weight: 827.94
Synonyms: None
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(NC5=C(C(F)(F)F)C=CC(C(F)(F)F)=C5)=O)CC4)[H])(CC[C@]1(N(C(=O)[C@H]6[C@]7(C)[C@@](CC6)([C@]8([C@](CC7)([C@]9(C)[C@@](CC8)(NC(=O)C=C9)[H])[H])[H])[H])C(=O)C=C2)[H])[H])[H]
Tpsa: 95.58
Logp: 9.7285
H Acceptors: 4
H Donors: 2
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:
C₄₆H₅₅F₆N₃O₄
Molecular Weight:
827.94
Synonyms:
None
SMILES:
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(NC5=C(C(F)(F)F)C=CC(C(F)(F)F)=C5)=O)CC4)[H])(CC[C@]1(N(C(=O)[C@H]6[C@]7(C)[C@@](CC6)([C@]8([C@](CC7)([C@]9(C)[C@@](CC8)(NC(=O)C=C9)[H])[H])[H])[H])C(=O)C=C2)[H])[H])[H]
Tpsa:
95.58
Logp:
9.7285
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3