CS-0497786
(2S,5R,6R)-3,3-Dimethyl-6-(5-methyl-3-phenylisoxazole-4-carboxamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide Oxacillin 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
C₁₉H₁₉N₃O₇S
Molecular Weight
433.44
Synonyms
None
SMILES
CC1=C(C(N[C@@]2([H])[C@](S(C(C)(C)[C@@]3(C(O)=O)[H])(=O)=O)([H])N3C2=O)=O)C(C4=CC=CC=C4)=NO1
Tpsa
146.88
Logp
0.57692
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: C₁₉H₁₉N₃O₇S
Molecular Weight: 433.44
Synonyms: None
SMILES: CC1=C(C(N[C@@]2([H])[C@](S(C(C)(C)[C@@]3(C(O)=O)[H])(=O)=O)([H])N3C2=O)=O)C(C4=CC=CC=C4)=NO1
Tpsa: 146.88
Logp: 0.57692
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:
C₁₉H₁₉N₃O₇S
Molecular Weight:
433.44
Synonyms:
None
SMILES:
CC1=C(C(N[C@@]2([H])[C@](S(C(C)(C)[C@@]3(C(O)=O)[H])(=O)=O)([H])N3C2=O)=O)C(C4=CC=CC=C4)=NO1
Tpsa:
146.88
Logp:
0.57692
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: C₃₂H₃₂N₆O₇S₂
Molecular Weight: 676.76
Synonyms: None
SMILES: OC(C1=C(C)CS[C@@]2([H])N1C([C@@]2([H])NC([C@H](NC(C3=C(C)CS[C@@]4([H])N3C([C@@]4([H])NC([C@H](N)C5=CC=CC=C5)=O)=O)=O)C6=CC=CC=C6)=O)=O)=O
Tpsa: 191.24
Logp: 0.9763
H Acceptors: 9
H Donors: 5
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₂N₆O₇S₂
Molecular Weight:
676.76
Synonyms:
None
SMILES:
OC(C1=C(C)CS[C@@]2([H])N1C([C@@]2([H])NC([C@H](NC(C3=C(C)CS[C@@]4([H])N3C([C@@]4([H])NC([C@H](N)C5=CC=CC=C5)=O)=O)=O)C6=CC=CC=C6)=O)=O)=O
Tpsa:
191.24
Logp:
0.9763
H Acceptors:
9
H Donors:
5
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₅N₅O₅S₂
Molecular Weight: 397.43
Synonyms: None
SMILES: OC(C1=C(C)CS[C@@]2([H])N1C([C@]2([H])NC(/C(C3=CSC(N)=N3)=N\OC)=O)=O)=O
Tpsa: 147.21
Logp: -0.1657
H Acceptors: 9
H Donors: 3
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:
C₁₄H₁₅N₅O₅S₂
Molecular Weight:
397.43
Synonyms:
None
SMILES:
OC(C1=C(C)CS[C@@]2([H])N1C([C@]2([H])NC(/C(C3=CSC(N)=N3)=N\OC)=O)=O)=O
Tpsa:
147.21
Logp:
-0.1657
H Acceptors:
9
H Donors:
3
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: C₂₀H₂₁N₃O₅S
Molecular Weight: 415.46
Synonyms: None
SMILES: O=C(OC)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=CC=CC=C4)=O)([H])C2=O
Tpsa: 101.74
Logp: 1.98372
H Acceptors: 7
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:
C₂₀H₂₁N₃O₅S
Molecular Weight:
415.46
Synonyms:
None
SMILES:
O=C(OC)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=CC=CC=C4)=O)([H])C2=O
Tpsa:
101.74
Logp:
1.98372
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4