CS-0532850
N-(3-(4-Ethyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide Nilotinib Impurity
Manufacturer: ChemScene
CAS Number: 2119583-24-1
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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
C₂₉H₂₄F₃N₇O
Molecular Weight
543.54
Synonyms
NILOTINIB IMPURITY 11
SMILES
O=C(C1=CC=C(C)C(NC2=NC(C3=CN=CC=C3)=CC=N2)=C1)NC4=CC(C(F)(F)F)=CC(N5C=NC(CC)=C5)=C4
Tpsa
97.62
Logp
6.60982
H Acceptors
7
H Donors
2
Rotatable Bonds
7
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: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₂₄F₃N₇O
Molecular Weight: 543.54
Synonyms: NILOTINIB IMPURITY 11
SMILES: O=C(C1=CC=C(C)C(NC2=NC(C3=CN=CC=C3)=CC=N2)=C1)NC4=CC(C(F)(F)F)=CC(N5C=NC(CC)=C5)=C4
Tpsa: 97.62
Logp: 6.60982
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:
C₂₉H₂₄F₃N₇O
Molecular Weight:
543.54
Synonyms:
NILOTINIB IMPURITY 11
SMILES:
O=C(C1=CC=C(C)C(NC2=NC(C3=CN=CC=C3)=CC=N2)=C1)NC4=CC(C(F)(F)F)=CC(N5C=NC(CC)=C5)=C4
Tpsa:
97.62
Logp:
6.60982
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: C₁₄H₂₂N₂O₅S
Molecular Weight: 330.40
Synonyms: (pivaloyloxy)methyl 6β-aminopenicillate
SMILES: CC(C)(C)C(OCOC([C@@H]1N2[C@@](SC1(C)C)([H])[C@@H](C2=O)N)=O)=O
Tpsa: 98.93
Logp: 0.466
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₂N₂O₅S
Molecular Weight:
330.40
Synonyms:
(pivaloyloxy)methyl 6β-aminopenicillate
SMILES:
CC(C)(C)C(OCOC([C@@H]1N2[C@@](SC1(C)C)([H])[C@@H](C2=O)N)=O)=O
Tpsa:
98.93
Logp:
0.466
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₄₀O₉
Molecular Weight: 472.57
Synonyms: DE(8-carboxyoctyl)6-carboxyhexylmupirocin
SMILES: C[C@H](O)[C@H](C)[C@@](O1)([H])[C@@H]1C[C@@H]2[C@H]([C@H]([C@@H](OC2)C/C(C)=C/C(OCCCCCCC(O)=O)=O)O)O
Tpsa: 146.05
Logp: 1.8123
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₄₀O₉
Molecular Weight:
472.57
Synonyms:
DE(8-carboxyoctyl)6-carboxyhexylmupirocin
SMILES:
C[C@H](O)[C@H](C)[C@@](O1)([H])[C@@H]1C[C@@H]2[C@H]([C@H]([C@@H](OC2)C/C(C)=C/C(OCCCCCCC(O)=O)=O)O)O
Tpsa:
146.05
Logp:
1.8123
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
14
Purity: 98%
MDL No: MFCD01707153
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₄NNaO₅S
Molecular Weight: 379.36
Synonyms: Picomonosulfate sodium
SMILES: O=S(OC1=CC=C(C(C2=CC=C(C=C2)O)C3=NC=CC=C3)C=C1)(O[Na])=O
Tpsa: 85.72
Logp: 2.6911
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
MFCD01707153
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₄NNaO₅S
Molecular Weight:
379.36
Synonyms:
Picomonosulfate sodium
SMILES:
O=S(OC1=CC=C(C(C2=CC=C(C=C2)O)C3=NC=CC=C3)C=C1)(O[Na])=O
Tpsa:
85.72
Logp:
2.6911
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
6