CS-1004449
Etoricoxib Impurity 47
Manufacturer: ChemScene
CAS Number: 646459-51-0
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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
C₂₆H₂₂ClNO₄S₂
Molecular Weight
512.04
Synonyms
None
SMILES
O=S(=O)(C1=CC=C(C=C1)C=2C=C(Cl)C=C(C3=CC=C(C=C3)S(=O)(=O)C)C2C4=CN=C(C=C4)C)C
Tpsa
81.17
Logp
5.85142
H Acceptors
5
H Donors
0
Rotatable Bonds
5
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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: C₂₆H₂₂ClNO₄S₂
Molecular Weight: 512.04
Synonyms: None
SMILES: O=S(=O)(C1=CC=C(C=C1)C=2C=C(Cl)C=C(C3=CC=C(C=C3)S(=O)(=O)C)C2C4=CN=C(C=C4)C)C
Tpsa: 81.17
Logp: 5.85142
H Acceptors: 5
H Donors: 0
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:
C₂₆H₂₂ClNO₄S₂
Molecular Weight:
512.04
Synonyms:
None
SMILES:
O=S(=O)(C1=CC=C(C=C1)C=2C=C(Cl)C=C(C3=CC=C(C=C3)S(=O)(=O)C)C2C4=CN=C(C=C4)C)C
Tpsa:
81.17
Logp:
5.85142
H Acceptors:
5
H Donors:
0
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: C₁₁H₁₅NO₄S
Molecular Weight: 257.31
Synonyms: None
SMILES: O=C(NC1=CC=C(C=C1)S(=O)(=O)OC(C)C)C
Tpsa: 72.47
Logp: 1.7587
H Acceptors: 4
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:
C₁₁H₁₅NO₄S
Molecular Weight:
257.31
Synonyms:
None
SMILES:
O=C(NC1=CC=C(C=C1)S(=O)(=O)OC(C)C)C
Tpsa:
72.47
Logp:
1.7587
H Acceptors:
4
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: C₇H₁₇ClN₂O₂
Molecular Weight: 196.68
Synonyms: None
SMILES: C([N+](C)(C)C)[C@H](CC(N)=O)O.[Cl-]
Tpsa: 63.32
Logp: -4.0671
H Acceptors: 2
H Donors: 2
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:
C₇H₁₇ClN₂O₂
Molecular Weight:
196.68
Synonyms:
None
SMILES:
C([N+](C)(C)C)[C@H](CC(N)=O)O.[Cl-]
Tpsa:
63.32
Logp:
-4.0671
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₄N₂O₂S
Molecular Weight: 190.26
Synonyms: None
SMILES: O=C(O)C1NC(SC1(C)C)CN
Tpsa: 75.35
Logp: -0.1606
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₄N₂O₂S
Molecular Weight:
190.26
Synonyms:
None
SMILES:
O=C(O)C1NC(SC1(C)C)CN
Tpsa:
75.35
Logp:
-0.1606
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
2