CS-0497859
(2S,5R,6R)-6-(3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide Cloxacillin Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₁₉H₁₇ClFN₃O₇S
Molecular Weight
485.87
Synonyms
None
SMILES
O=C(O)[C@@]1([H])C(C)(C)S([C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=C(F)C=CC=C4Cl)=O)([H])C2=O)(=O)=O
Tpsa
146.88
Logp
1.36942
H Acceptors
7
H Donors
2
Rotatable Bonds
4
Other Options
...
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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: C₁₉H₁₇ClFN₃O₇S
Molecular Weight: 485.87
Synonyms: None
SMILES: O=C(O)[C@@]1([H])C(C)(C)S([C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=C(F)C=CC=C4Cl)=O)([H])C2=O)(=O)=O
Tpsa: 146.88
Logp: 1.36942
H Acceptors: 7
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:
C₁₉H₁₇ClFN₃O₇S
Molecular Weight:
485.87
Synonyms:
None
SMILES:
O=C(O)[C@@]1([H])C(C)(C)S([C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=C(F)C=CC=C4Cl)=O)([H])C2=O)(=O)=O
Tpsa:
146.88
Logp:
1.36942
H Acceptors:
7
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: C₈H₁₂N₄O₆S₂
Molecular Weight: 324.33
Synonyms: None
SMILES: O=C(NCC(S(O)(=O)=O)O)/C(C1=CSC(N)=N1)=N\OC
Tpsa: 164.2
Logp: -1.6018
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂N₄O₆S₂
Molecular Weight:
324.33
Synonyms:
None
SMILES:
O=C(NCC(S(O)(=O)=O)O)/C(C1=CSC(N)=N1)=N\OC
Tpsa:
164.2
Logp:
-1.6018
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₇N₃O₇S₂
Molecular Weight: 427.45
Synonyms: None
SMILES: OC(C1C(COC(N)=O)=CS[C@@]2([H])N1C([C@@]2(OC)NC(CC3=CC=CS3)=O)=O)=O
Tpsa: 148.26
Logp: 0.097
H Acceptors: 8
H Donors: 3
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:
C₁₆H₁₇N₃O₇S₂
Molecular Weight:
427.45
Synonyms:
None
SMILES:
OC(C1C(COC(N)=O)=CS[C@@]2([H])N1C([C@@]2(OC)NC(CC3=CC=CS3)=O)=O)=O
Tpsa:
148.26
Logp:
0.097
H Acceptors:
8
H Donors:
3
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: C₁₆H₁₈N₄O₆S₂
Molecular Weight: 426.47
Synonyms: None
SMILES: NC(C1=C(COC(N)=O)CS[C@@]2([H])N1C([C@@]2(OC)NC(CC3=CC=CS3)=O)=O)=O
Tpsa: 154.05
Logp: -0.5007
H Acceptors: 8
H Donors: 3
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:
C₁₆H₁₈N₄O₆S₂
Molecular Weight:
426.47
Synonyms:
None
SMILES:
NC(C1=C(COC(N)=O)CS[C@@]2([H])N1C([C@@]2(OC)NC(CC3=CC=CS3)=O)=O)=O
Tpsa:
154.05
Logp:
-0.5007
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
7