CS-0179208
1-(5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N,N-dimethylmethanamine fumarate Vonoprazan Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₂₂H₂₂FN₃O₆S
Molecular Weight
475.49
Synonyms
None
SMILES
O=C(O)/C=C/C(O)=O.CN(C)CC1=CN(S(=O)(C2=CC=CN=C2)=O)C(C3=CC=CC=C3F)=C1
Tpsa
129.8
Logp
2.6996
H Acceptors
7
H Donors
2
Rotatable Bonds
7
Other Options
...
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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: C₂₂H₂₂FN₃O₆S
Molecular Weight: 475.49
Synonyms: None
SMILES: O=C(O)/C=C/C(O)=O.CN(C)CC1=CN(S(=O)(C2=CC=CN=C2)=O)C(C3=CC=CC=C3F)=C1
Tpsa: 129.8
Logp: 2.6996
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₂FN₃O₆S
Molecular Weight:
475.49
Synonyms:
None
SMILES:
O=C(O)/C=C/C(O)=O.CN(C)CC1=CN(S(=O)(C2=CC=CN=C2)=O)C(C3=CC=CC=C3F)=C1
Tpsa:
129.8
Logp:
2.6996
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₂₈ClF₂N₅O₄S₂
Molecular Weight: 696.19
Synonyms: None
SMILES: CN(CC1=CN(S(=O)(C2=CC=CN=C2)=O)C(C3=CC=CC=C3F)=C1)CC4=CN(S(=O)(C5=CC=CN=C5)=O)C(C6=CC=CC=C6F)=C4.[H]Cl
Tpsa: 107.16
Logp: 6.2196
H Acceptors: 9
H Donors: 0
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:
C₃₃H₂₈ClF₂N₅O₄S₂
Molecular Weight:
696.19
Synonyms:
None
SMILES:
CN(CC1=CN(S(=O)(C2=CC=CN=C2)=O)C(C3=CC=CC=C3F)=C1)CC4=CN(S(=O)(C5=CC=CN=C5)=O)C(C6=CC=CC=C6F)=C4.[H]Cl
Tpsa:
107.16
Logp:
6.2196
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₀FN
Molecular Weight: 197.29
Synonyms: None
SMILES: FCC[C@](C[C@H](C1)C2)(C[C@@H]1C3)C[C@]23N
Tpsa: 26.02
Logp: 2.6437
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₀FN
Molecular Weight:
197.29
Synonyms:
None
SMILES:
FCC[C@](C[C@H](C1)C2)(C[C@@H]1C3)C[C@]23N
Tpsa:
26.02
Logp:
2.6437
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂ClF₄NO₂
Molecular Weight: 289.65
Synonyms: (1S)-1-[3-FLUORO-4-(TRIFLUOROMETHOXY)PHENYL]-2-METHOXYETHYLAMINE HCl
SMILES: FC(F)(F)OC1=C(C=C(C=C1)[C@H](N)COC)F.Cl
Tpsa: 44.48
Logp: 2.7923
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂ClF₄NO₂
Molecular Weight:
289.65
Synonyms:
(1S)-1-[3-FLUORO-4-(TRIFLUOROMETHOXY)PHENYL]-2-METHOXYETHYLAMINE HCl
SMILES:
FC(F)(F)OC1=C(C=C(C=C1)[C@H](N)COC)F.Cl
Tpsa:
44.48
Logp:
2.7923
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4