CS-1000651
Saxagliptin Impurity 50
Manufacturer: ChemScene
CAS Number: 1194836-75-3
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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
C₂₅H₃₂F₃N₃O₅
Molecular Weight
511.53
Synonyms
None
SMILES
[C@H](C(=O)N1[C@@]2([C@@](C2)(C[C@H]1C#N)[H])[H])(NC(OC(C)(C)C)=O)C34CC5(OC(C(F)(F)F)=O)CC(C3)CC(C4)C5
Tpsa
108.73
Logp
3.83718
H Acceptors
6
H Donors
1
Rotatable Bonds
4
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: C₂₅H₃₂F₃N₃O₅
Molecular Weight: 511.53
Synonyms: None
SMILES: [C@H](C(=O)N1[C@@]2([C@@](C2)(C[C@H]1C#N)[H])[H])(NC(OC(C)(C)C)=O)C34CC5(OC(C(F)(F)F)=O)CC(C3)CC(C4)C5
Tpsa: 108.73
Logp: 3.83718
H Acceptors: 6
H Donors: 1
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:
C₂₅H₃₂F₃N₃O₅
Molecular Weight:
511.53
Synonyms:
None
SMILES:
[C@H](C(=O)N1[C@@]2([C@@](C2)(C[C@H]1C#N)[H])[H])(NC(OC(C)(C)C)=O)C34CC5(OC(C(F)(F)F)=O)CC(C3)CC(C4)C5
Tpsa:
108.73
Logp:
3.83718
H Acceptors:
6
H Donors:
1
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: C₂₁H₂₂N₂O₅
Molecular Weight: 382.41
Synonyms: None
SMILES: [C@H](CC1=CC=C(NCCO)C=C1)(C(OCC)=O)N2C(=O)C=3C(C2=O)=CC=CC3
Tpsa: 95.94
Logp: 1.8612
H Acceptors: 6
H Donors: 2
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:
C₂₁H₂₂N₂O₅
Molecular Weight:
382.41
Synonyms:
None
SMILES:
[C@H](CC1=CC=C(NCCO)C=C1)(C(OCC)=O)N2C(=O)C=3C(C2=O)=CC=CC3
Tpsa:
95.94
Logp:
1.8612
H Acceptors:
6
H Donors:
2
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: C₇H₇N₅O₂
Molecular Weight: 193.16
Synonyms: None
SMILES: O=C1N=C(N)NC2=C1N=CN2C(=O)C
Tpsa: 106.66
Logp: -0.6381
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₇N₅O₂
Molecular Weight:
193.16
Synonyms:
None
SMILES:
O=C1N=C(N)NC2=C1N=CN2C(=O)C
Tpsa:
106.66
Logp:
-0.6381
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₀IN
Molecular Weight: 295.12
Synonyms: None
SMILES: IN(C=1C=CC=CC1)C=2C=CC=CC2
Tpsa: 3.24
Logp: 4.1747
H Acceptors: 1
H Donors: 0
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:
C₁₂H₁₀IN
Molecular Weight:
295.12
Synonyms:
None
SMILES:
IN(C=1C=CC=CC1)C=2C=CC=CC2
Tpsa:
3.24
Logp:
4.1747
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
2