CS-1003112
Parecoxib Sodium Impurity 57
Manufacturer: ChemScene
CAS Number: 2455497-80-8
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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
C₁₆H₁₅N₃O₅S₂
Molecular Weight
393.44
Synonyms
None
SMILES
O=S(=O)(N)C=1C=CC(=CC1)C2=NOC(=C2C3=CC=CC(=C3)S(=O)(=O)N)C
Tpsa
146.35
Logp
1.61182
H Acceptors
6
H Donors
2
Rotatable Bonds
4
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: C₁₆H₁₅N₃O₅S₂
Molecular Weight: 393.44
Synonyms: None
SMILES: O=S(=O)(N)C=1C=CC(=CC1)C2=NOC(=C2C3=CC=CC(=C3)S(=O)(=O)N)C
Tpsa: 146.35
Logp: 1.61182
H Acceptors: 6
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:
C₁₆H₁₅N₃O₅S₂
Molecular Weight:
393.44
Synonyms:
None
SMILES:
O=S(=O)(N)C=1C=CC(=CC1)C2=NOC(=C2C3=CC=CC(=C3)S(=O)(=O)N)C
Tpsa:
146.35
Logp:
1.61182
H Acceptors:
6
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: C₁₅H₁₉N₃O₄
Molecular Weight: 305.33
Synonyms: None
SMILES: O=C1N(C2=CC=C(C=C2)N(=O)=O)CCCC1N3CCOCC3
Tpsa: 75.92
Logp: 1.4224
H Acceptors: 5
H Donors: 0
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:
C₁₅H₁₉N₃O₄
Molecular Weight:
305.33
Synonyms:
None
SMILES:
O=C1N(C2=CC=C(C=C2)N(=O)=O)CCCC1N3CCOCC3
Tpsa:
75.92
Logp:
1.4224
H Acceptors:
5
H Donors:
0
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: C₁₈H₂₄N₂O₃
Molecular Weight: 316.39
Synonyms: None
SMILES: [C@H](CN[C@H](CC1=CC=C(OC)C=C1)C)(O)C2=CC(N)=C(O)C=C2
Tpsa: 87.74
Logp: 2.2372
H Acceptors: 5
H Donors: 4
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:
C₁₈H₂₄N₂O₃
Molecular Weight:
316.39
Synonyms:
None
SMILES:
[C@H](CN[C@H](CC1=CC=C(OC)C=C1)C)(O)C2=CC(N)=C(O)C=C2
Tpsa:
87.74
Logp:
2.2372
H Acceptors:
5
H Donors:
4
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: C₁₆H₁₈N₂O₂
Molecular Weight: 270.33
Synonyms: None
SMILES: O=C1C=CCCN1C2=CC=C(C=C2)N3C(=O)CCCC3
Tpsa: 40.62
Logp: 2.4964
H Acceptors: 2
H Donors: 0
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:
C₁₆H₁₈N₂O₂
Molecular Weight:
270.33
Synonyms:
None
SMILES:
O=C1C=CCCN1C2=CC=C(C=C2)N3C(=O)CCCC3
Tpsa:
40.62
Logp:
2.4964
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2