CS-0497918
(2R,4S)-2-(Carboxy(3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)methyl)-3-((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-carbonyl)-5,5-dimethylthiazolidine-4-carboxylic acid 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
C₃₈H₃₄Cl₂F₂N₆O₁₀S₂
Molecular Weight
907.74
Synonyms
None
SMILES
O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(O)=O)NC(C2=C(C)ON=C2C3=C(F)C=CC=C3Cl)=O)N1C([C@H]4C(C)(C)S[C@](N54)([H])[C@@](NC(C6=C(C)ON=C6C7=C(F)C=CC=C7Cl)=O)([H])C5=O)=O
Tpsa
225.48
Logp
5.37564
H Acceptors
12
H Donors
4
Rotatable Bonds
10
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: C₃₈H₃₄Cl₂F₂N₆O₁₀S₂
Molecular Weight: 907.74
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(O)=O)NC(C2=C(C)ON=C2C3=C(F)C=CC=C3Cl)=O)N1C([C@H]4C(C)(C)S[C@](N54)([H])[C@@](NC(C6=C(C)ON=C6C7=C(F)C=CC=C7Cl)=O)([H])C5=O)=O
Tpsa: 225.48
Logp: 5.37564
H Acceptors: 12
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₃₄Cl₂F₂N₆O₁₀S₂
Molecular Weight:
907.74
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(O)=O)NC(C2=C(C)ON=C2C3=C(F)C=CC=C3Cl)=O)N1C([C@H]4C(C)(C)S[C@](N54)([H])[C@@](NC(C6=C(C)ON=C6C7=C(F)C=CC=C7Cl)=O)([H])C5=O)=O
Tpsa:
225.48
Logp:
5.37564
H Acceptors:
12
H Donors:
4
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₀F₃NO₃
Molecular Weight: 283.29
Synonyms: None
SMILES: CC1(OC(F)(F)F)CCN(C(OC(C)(C)C)=O)CC1
Tpsa: 38.77
Logp: 3.3124
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₀F₃NO₃
Molecular Weight:
283.29
Synonyms:
None
SMILES:
CC1(OC(F)(F)F)CCN(C(OC(C)(C)C)=O)CC1
Tpsa:
38.77
Logp:
3.3124
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₆Cl₂N₄O₆S
Molecular Weight: 475.30
Synonyms: None
SMILES: NC(C1=C(COC(C)=O)CS[C@@]2([H])N1C([C@@]2([H])NC(CN3C=C(Cl)C(C(Cl)=C3)=O)=O)=O)=O
Tpsa: 140.8
Logp: -0.1425
H Acceptors: 8
H Donors: 2
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:
C₁₇H₁₆Cl₂N₄O₆S
Molecular Weight:
475.30
Synonyms:
None
SMILES:
NC(C1=C(COC(C)=O)CS[C@@]2([H])N1C([C@@]2([H])NC(CN3C=C(Cl)C(C(Cl)=C3)=O)=O)=O)=O
Tpsa:
140.8
Logp:
-0.1425
H Acceptors:
8
H Donors:
2
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: C₁₆H₂₀ClNO₄
Molecular Weight: 325.79
Synonyms: None
SMILES: CC(C)(C)OC(N1[C@H](C(OC)=O)CC2=C(C=C(Cl)C=C2)C1)=O
Tpsa: 55.84
Logp: 3.1748
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₀ClNO₄
Molecular Weight:
325.79
Synonyms:
None
SMILES:
CC(C)(C)OC(N1[C@H](C(OC)=O)CC2=C(C=C(Cl)C=C2)C1)=O
Tpsa:
55.84
Logp:
3.1748
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1