CS-0497714
3,3-Dimethyl-6-(5-methyl-3-phenylisoxazole-4-carboxamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioic O-acid (Oxacillin Impurity)
Manufacturer: ChemScene
CAS Number: 5053-35-0
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₉H₁₉N₃O₄S₂
Molecular Weight
417.50
Synonyms
Thioxacillin
SMILES
OC(C(C(C)(C)SC1C2NC(C3=C(C)ON=C3C4=CC=CC=C4)=O)N1C2=O)=S
Tpsa
N/A
Logp
N/A
H Acceptors
N/A
H Donors
N/A
Rotatable Bonds
N/A
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Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₉N₃O₄S₂
Molecular Weight: 417.50
Synonyms: Thioxacillin
SMILES: OC(C(C(C)(C)SC1C2NC(C3=C(C)ON=C3C4=CC=CC=C4)=O)N1C2=O)=S
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₉N₃O₄S₂
Molecular Weight:
417.50
Synonyms:
Thioxacillin
SMILES:
OC(C(C(C)(C)SC1C2NC(C3=C(C)ON=C3C4=CC=CC=C4)=O)N1C2=O)=S
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₉N₃O₄S
Molecular Weight: 349.40
Synonyms: None
SMILES: O=C([C@@]1([H])NC([C@@H](N)C2=CCC=CC2)=O)N3[C@]1([H])SCC(C)=C3C(O)=O
Tpsa: 112.73
Logp: 0.3486
H Acceptors: 5
H Donors: 3
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:
C₁₆H₁₉N₃O₄S
Molecular Weight:
349.40
Synonyms:
None
SMILES:
O=C([C@@]1([H])NC([C@@H](N)C2=CCC=CC2)=O)N3[C@]1([H])SCC(C)=C3C(O)=O
Tpsa:
112.73
Logp:
0.3486
H Acceptors:
5
H Donors:
3
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: C₁₆H₂₁N₃O₅S
Molecular Weight: 367.42
Synonyms: None
SMILES: CC1=C(C(O)=O)N[C@@]([H])(C(C(O)=O)NC([C@H](N)C2=CCC=CC2)=O)SC1
Tpsa: 141.75
Logp: 0.1806
H Acceptors: 6
H Donors: 5
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:
C₁₆H₂₁N₃O₅S
Molecular Weight:
367.42
Synonyms:
None
SMILES:
CC1=C(C(O)=O)N[C@@]([H])(C(C(O)=O)NC([C@H](N)C2=CCC=CC2)=O)SC1
Tpsa:
141.75
Logp:
0.1806
H Acceptors:
6
H Donors:
5
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: C₁₇H₂₆N₄O₄S₂
Molecular Weight: 414.54
Synonyms: Cefathiamidine Impurity 3
SMILES: O=C([C@@]1([H])NC(CS/C(NC(C)C)=N\C(C)C)=O)N2[C@]1([H])SCC(C)=C2C(O)=O
Tpsa: 111.1
Logp: 1.2405
H Acceptors: 6
H Donors: 3
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:
C₁₇H₂₆N₄O₄S₂
Molecular Weight:
414.54
Synonyms:
Cefathiamidine Impurity 3
SMILES:
O=C([C@@]1([H])NC(CS/C(NC(C)C)=N\C(C)C)=O)N2[C@]1([H])SCC(C)=C2C(O)=O
Tpsa:
111.1
Logp:
1.2405
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
6