CS-0566994
(R)-N-(1-(3-(2-Cyano-5-fluorobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)acetamide Trelagliptin Impurity
Manufacturer: ChemScene
CAS Number: 1821520-42-6
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₀H₂₂FN₅O₃
Molecular Weight
399.42
Synonyms
Trelagliptin Impurity 20 HCl
SMILES
O=C(N(C1=O)C)C=C(N2C[C@@H](CCC2)NC(C)=O)N1CC3=C(C=CC(F)=C3)C#N
Tpsa
100.13
Logp
0.71098
H Acceptors
7
H Donors
1
Rotatable Bonds
4
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: C₂₀H₂₂FN₅O₃
Molecular Weight: 399.42
Synonyms: Trelagliptin Impurity 20 HCl
SMILES: O=C(N(C1=O)C)C=C(N2C[C@@H](CCC2)NC(C)=O)N1CC3=C(C=CC(F)=C3)C#N
Tpsa: 100.13
Logp: 0.71098
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₂FN₅O₃
Molecular Weight:
399.42
Synonyms:
Trelagliptin Impurity 20 HCl
SMILES:
O=C(N(C1=O)C)C=C(N2C[C@@H](CCC2)NC(C)=O)N1CC3=C(C=CC(F)=C3)C#N
Tpsa:
100.13
Logp:
0.71098
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₂FN₃O₃
Molecular Weight: 289.26
Synonyms: Trelagliptin Impurity JYJ
SMILES: N#CC1=CC=C(C=C1CN2C(N(C)C(C=C2OC)=O)=O)F
Tpsa: 77.02
Logp: 0.61468
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₂FN₃O₃
Molecular Weight:
289.26
Synonyms:
Trelagliptin Impurity JYJ
SMILES:
N#CC1=CC=C(C=C1CN2C(N(C)C(C=C2OC)=O)=O)F
Tpsa:
77.02
Logp:
0.61468
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₄FN₃O₃
Molecular Weight: 303.29
Synonyms: Trelagliptin Impurity YYJ
SMILES: N#CC1=CC=C(C=C1CN2C(N(C)C(C=C2OCC)=O)=O)F
Tpsa: 77.02
Logp: 1.00478
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₄FN₃O₃
Molecular Weight:
303.29
Synonyms:
Trelagliptin Impurity YYJ
SMILES:
N#CC1=CC=C(C=C1CN2C(N(C)C(C=C2OCC)=O)=O)F
Tpsa:
77.02
Logp:
1.00478
H Acceptors:
6
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: C₁₄H₁₃NO₃S
Molecular Weight: 275.32
Synonyms: Etoricoxib Impurity 60
SMILES: O=C(CC1=CC=C(S(=O)(C)=O)C=C1)C2=CC=CN=C2
Tpsa: 64.1
Logp: 1.9105
H Acceptors: 4
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:
C₁₄H₁₃NO₃S
Molecular Weight:
275.32
Synonyms:
Etoricoxib Impurity 60
SMILES:
O=C(CC1=CC=C(S(=O)(C)=O)C=C1)C2=CC=CN=C2
Tpsa:
64.1
Logp:
1.9105
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4