CS-0255340
(3Z,3'Z)-Dimethyl 3,3'-(((((2,2'-(piperazine-1,4-diyl)bis(acetyl))bis(methylazanediyl))bis(4,1-phenylene))bis(azanediyl))bis(phenylmethanylylidene))bis(2-oxoindoline-6-carboxylate) Nintedanib Impurity
Manufacturer: ChemScene
CAS Number: 2410284-90-9
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Purity
97%
MDL No
None
Storage
4°C, protect from light
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₅₆H₅₂N₈O₈
Molecular Weight
965.06
Synonyms
Nintedanib Impurity 50
SMILES
CN(C1=CC=C(C=C1)N/C(C2=CC=CC=C2)=C3C4=CC=C(C(OC)=O)C=C4NC/3=O)C(CN(CC5)CCN5CC(N(C)C(C=C6)=CC=C6N/C(C7=CC=CC=C7)=C8C9=CC=C(C(OC)=O)C=C9NC/8=O)=O)=O
Tpsa
181.96
Logp
7.3682
H Acceptors
12
H Donors
4
Rotatable Bonds
14
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: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₆H₅₂N₈O₈
Molecular Weight: 965.06
Synonyms: Nintedanib Impurity 50
SMILES: CN(C1=CC=C(C=C1)N/C(C2=CC=CC=C2)=C3C4=CC=C(C(OC)=O)C=C4NC/3=O)C(CN(CC5)CCN5CC(N(C)C(C=C6)=CC=C6N/C(C7=CC=CC=C7)=C8C9=CC=C(C(OC)=O)C=C9NC/8=O)=O)=O
Tpsa: 181.96
Logp: 7.3682
H Acceptors: 12
H Donors: 4
Rotatable Bonds: 14
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₆H₅₂N₈O₈
Molecular Weight:
965.06
Synonyms:
Nintedanib Impurity 50
SMILES:
CN(C1=CC=C(C=C1)N/C(C2=CC=CC=C2)=C3C4=CC=C(C(OC)=O)C=C4NC/3=O)C(CN(CC5)CCN5CC(N(C)C(C=C6)=CC=C6N/C(C7=CC=CC=C7)=C8C9=CC=C(C(OC)=O)C=C9NC/8=O)=O)=O
Tpsa:
181.96
Logp:
7.3682
H Acceptors:
12
H Donors:
4
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₃N₃O₄
Molecular Weight: 441.48
Synonyms: Nintedanib Impurity P
SMILES: CC(N(C)C(C=C1)=CC=C1N/C(C2=CC=CC=C2)=C3C4=CC=C(C(OC)=O)C=C4NC/3=O)=O
Tpsa: 87.74
Logp: 4.3884
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₃N₃O₄
Molecular Weight:
441.48
Synonyms:
Nintedanib Impurity P
SMILES:
CC(N(C)C(C=C1)=CC=C1N/C(C2=CC=CC=C2)=C3C4=CC=C(C(OC)=O)C=C4NC/3=O)=O
Tpsa:
87.74
Logp:
4.3884
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₈Cl₂N₄O₂
Molecular Weight: 311.12
Synonyms: N,N'-BIS(5-CHLOROPYRIDIN-2-YL)ETHANEDIAMIDE
SMILES: O=C(C(NC1=NC=C(C=C1)Cl)=O)NC2=NC=C(C=C2)Cl
Tpsa: 83.98
Logp: 2.3606
H Acceptors: 4
H Donors: 2
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:
C₁₂H₈Cl₂N₄O₂
Molecular Weight:
311.12
Synonyms:
N,N'-BIS(5-CHLOROPYRIDIN-2-YL)ETHANEDIAMIDE
SMILES:
O=C(C(NC1=NC=C(C=C1)Cl)=O)NC2=NC=C(C=C2)Cl
Tpsa:
83.98
Logp:
2.3606
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈Cl₂N₂O₃
Molecular Weight: 263.08
Synonyms: None
SMILES: O=C(C(OCC)=O)NC1=C(C=C(C=N1)Cl)Cl
Tpsa: 68.29
Logp: 1.89
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈Cl₂N₂O₃
Molecular Weight:
263.08
Synonyms:
None
SMILES:
O=C(C(OCC)=O)NC1=C(C=C(C=N1)Cl)Cl
Tpsa:
68.29
Logp:
1.89
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2