CS-1001718
Entacapone Impurity 80
Manufacturer: ChemScene
CAS Number: 158069-75-1
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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
C₂₀H₂₃N₃O₁₁
Molecular Weight
481.41
Synonyms
None
SMILES
O(C1=C(O)C(N(=O)=O)=CC(/C=C(/C(N(CC)CC)=O)\C#N)=C1)[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O
Tpsa
223.92
Logp
-0.65322
H Acceptors
11
H Donors
5
Rotatable Bonds
8
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 158069-75-1 | Entacapone 3-b-D-Glucuronide | A2B Chem | -- |
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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: C₂₀H₂₃N₃O₁₁
Molecular Weight: 481.41
Synonyms: None
SMILES: O(C1=C(O)C(N(=O)=O)=CC(/C=C(/C(N(CC)CC)=O)\C#N)=C1)[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O
Tpsa: 223.92
Logp: -0.65322
H Acceptors: 11
H Donors: 5
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:
C₂₀H₂₃N₃O₁₁
Molecular Weight:
481.41
Synonyms:
None
SMILES:
O(C1=C(O)C(N(=O)=O)=CC(/C=C(/C(N(CC)CC)=O)\C#N)=C1)[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O
Tpsa:
223.92
Logp:
-0.65322
H Acceptors:
11
H Donors:
5
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: C₂₆H₂₃ClN₂O₃
Molecular Weight: 446.93
Synonyms: None
SMILES: O=C(NC1=CC=C(C(=O)N2C3=CC=C(Cl)C=C3C(=O)CCC2)C(=C1)C)C4=CC=C(C=C4)C
Tpsa: 66.48
Logp: 5.83244
H Acceptors: 3
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:
C₂₆H₂₃ClN₂O₃
Molecular Weight:
446.93
Synonyms:
None
SMILES:
O=C(NC1=CC=C(C(=O)N2C3=CC=C(Cl)C=C3C(=O)CCC2)C(=C1)C)C4=CC=C(C=C4)C
Tpsa:
66.48
Logp:
5.83244
H Acceptors:
3
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: C₂₆H₂₃ClN₂O₃
Molecular Weight: 446.93
Synonyms: None
SMILES: O=C(NC1=CC=C(C(=O)N2C3=CC=C(Cl)C=C3C(=O)CCC2)C(=C1)C)C4=CC=CC(=C4)C
Tpsa: 66.48
Logp: 5.83244
H Acceptors: 3
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:
C₂₆H₂₃ClN₂O₃
Molecular Weight:
446.93
Synonyms:
None
SMILES:
O=C(NC1=CC=C(C(=O)N2C3=CC=C(Cl)C=C3C(=O)CCC2)C(=C1)C)C4=CC=CC(=C4)C
Tpsa:
66.48
Logp:
5.83244
H Acceptors:
3
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: C₂₆H₂₅ClN₂O₃
Molecular Weight: 448.94
Synonyms: None
SMILES: O=C(NC1=CC=C(C(=O)N2C3=CC=C(Cl)C=C3C(O)CCC2)C(=C1)C)C4=CC=CC(=C4)C
Tpsa: 69.64
Logp: 5.68314
H Acceptors: 3
H Donors: 2
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:
C₂₆H₂₅ClN₂O₃
Molecular Weight:
448.94
Synonyms:
None
SMILES:
O=C(NC1=CC=C(C(=O)N2C3=CC=C(Cl)C=C3C(O)CCC2)C(=C1)C)C4=CC=CC(=C4)C
Tpsa:
69.64
Logp:
5.68314
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3