CS-0533303
(R)-3-Amino-4-(2,5-difluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one hydrochloride Sitagliptin Impurity
Manufacturer: ChemScene
CAS Number: 486459-70-5
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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
C₁₆H₁₇ClF₅N₅O
Molecular Weight
425.78
Synonyms
Sitagliptin EP Impurity B HCl
SMILES
FC(F)(C1=NN=C2N1CCN(C(C[C@H](N)CC3=C(C=CC(F)=C3)F)=O)C2)F.Cl
Tpsa
77.04
Logp
2.2992
H Acceptors
5
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: C₁₆H₁₇ClF₅N₅O
Molecular Weight: 425.78
Synonyms: Sitagliptin EP Impurity B HCl
SMILES: FC(F)(C1=NN=C2N1CCN(C(C[C@H](N)CC3=C(C=CC(F)=C3)F)=O)C2)F.Cl
Tpsa: 77.04
Logp: 2.2992
H Acceptors: 5
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:
C₁₆H₁₇ClF₅N₅O
Molecular Weight:
425.78
Synonyms:
Sitagliptin EP Impurity B HCl
SMILES:
FC(F)(C1=NN=C2N1CCN(C(C[C@H](N)CC3=C(C=CC(F)=C3)F)=O)C2)F.Cl
Tpsa:
77.04
Logp:
2.2992
H Acceptors:
5
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: C₂₇H₃₇FO₆
Molecular Weight: 476.58
Synonyms: Dexamethasone valerate
SMILES: C[C@@]12[C@@](C(CO)=O)([C@@H](C[C@@]1([H])[C@@]3([H])[C@]([C@H](C2)O)([C@@]4(C(CC3)=CC(C=C4)=O)C)F)C)OC(CCCC)=O
Tpsa: 100.9
Logp: 3.6368
H Acceptors: 6
H Donors: 2
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:
C₂₇H₃₇FO₆
Molecular Weight:
476.58
Synonyms:
Dexamethasone valerate
SMILES:
C[C@@]12[C@@](C(CO)=O)([C@@H](C[C@@]1([H])[C@@]3([H])[C@]([C@H](C2)O)([C@@]4(C(CC3)=CC(C=C4)=O)C)F)C)OC(CCCC)=O
Tpsa:
100.9
Logp:
3.6368
H Acceptors:
6
H Donors:
2
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: C₁₇H₁₈Cl₃N
Molecular Weight: 342.69
Synonyms: Sertraline Racemate HCl
SMILES: CN[C@H]1C2=CC=CC=C2[C@H](C3=CC(Cl)=C(C=C3)Cl)CC1.Cl
Tpsa: 12.03
Logp: 5.6014
H Acceptors: 1
H Donors: 1
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:
C₁₇H₁₈Cl₃N
Molecular Weight:
342.69
Synonyms:
Sertraline Racemate HCl
SMILES:
CN[C@H]1C2=CC=CC=C2[C@H](C3=CC(Cl)=C(C=C3)Cl)CC1.Cl
Tpsa:
12.03
Logp:
5.6014
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD24857372
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₃FN₂O₂
Molecular Weight: 342.41
Synonyms: None
SMILES: O=C(C1=CC=C2C(COC2(CCCN(C)C)C3=CC=C(C=C3)F)=C1)N
Tpsa: 55.56
Logp: 3.0402
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
MFCD24857372
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₃FN₂O₂
Molecular Weight:
342.41
Synonyms:
None
SMILES:
O=C(C1=CC=C2C(COC2(CCCN(C)C)C3=CC=C(C=C3)F)=C1)N
Tpsa:
55.56
Logp:
3.0402
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6