CS-1003002
Ticagrelor Impurity 81
Manufacturer: ChemScene
CAS Number: 2376278-68-9
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₂₅NO₁₀
Molecular Weight
367.35
Synonyms
None
SMILES
[C@@H]([C@H](C(O)=O)O)(C(O)=O)O.O(CCO)[C@H]1[C@@]2([C@@](OC(C)(C)O2)([C@H](N)C1)[H])[H]
Tpsa
189
Logp
-2.5076
H Acceptors
9
H Donors
6
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2376278-68-9 | Ticagrelor Related Compound 91 | A2B Chem | -- |
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₅NO₁₀
Molecular Weight: 367.35
Synonyms: None
SMILES: [C@@H]([C@H](C(O)=O)O)(C(O)=O)O.O(CCO)[C@H]1[C@@]2([C@@](OC(C)(C)O2)([C@H](N)C1)[H])[H]
Tpsa: 189
Logp: -2.5076
H Acceptors: 9
H Donors: 6
Rotatable Bonds: 6
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₅NO₁₀
Molecular Weight:
367.35
Synonyms:
None
SMILES:
[C@@H]([C@H](C(O)=O)O)(C(O)=O)O.O(CCO)[C@H]1[C@@]2([C@@](OC(C)(C)O2)([C@H](N)C1)[H])[H]
Tpsa:
189
Logp:
-2.5076
H Acceptors:
9
H Donors:
6
Rotatable Bonds:
6
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₉H₁₀₈O₄₇S₇
Molecular Weight: 1914.02
Synonyms: None
SMILES: C(SCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CO)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)C7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H]
Tpsa: 752.69
Logp: -8.8972
H Acceptors: 47
H Donors: 24
Rotatable Bonds: 36
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₉H₁₀₈O₄₇S₇
Molecular Weight:
1914.02
Synonyms:
None
SMILES:
C(SCCC(O)=O)[C@@H]1[C@]2(O[C@]3(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CSCCC(O)=O)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CO)[C@@](O[C@]7(O[C@H](CSCCC(O)=O)[C@@](O[C@]8(O[C@H](CSCCC(O)=O)[C@@](O[C@]9(O[C@H](CSCCC(O)=O)[C@@](O[C@@](O1)([C@H](O)[C@H]2O)[H])([C@H](O)[C@H]9O)[H])[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)C7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H]
Tpsa:
752.69
Logp:
-8.8972
H Acceptors:
47
H Donors:
24
Rotatable Bonds:
36
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₁NO₃
Molecular Weight: 239.31
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1CC(C1)C23CC(O)(C2)C3
Tpsa: 49.77
Logp: 1.7683
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₁NO₃
Molecular Weight:
239.31
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1CC(C1)C23CC(O)(C2)C3
Tpsa:
49.77
Logp:
1.7683
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂ClN
Molecular Weight: 169.65
Synonyms: None
SMILES: ClCCCCC1=NC=CC=C1
Tpsa: 12.89
Logp: 2.6431
H Acceptors: 1
H Donors: 0
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:
C₉H₁₂ClN
Molecular Weight:
169.65
Synonyms:
None
SMILES:
ClCCCCC1=NC=CC=C1
Tpsa:
12.89
Logp:
2.6431
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
4