CS-0497766
(2S,5R,6R)-6-((2S,5R,6R)-3,3-Dimethyl-6-(5-methyl-3-phenylisoxazole-4-carboxamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 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
C₂₇H₂₉N₅O₇S₂
Molecular Weight
599.68
Synonyms
None
SMILES
CC1=C(C(N[C@]([C@]2([H])N3[C@](C(N[C@]([C@]4([H])N5[C@@]([H])(C(O)=O)C(C)(C)S4)([H])C5=O)=O)([H])C(C)(C)S2)([H])C3=O)=O)C(C6=CC=CC=C6)=NO1
Tpsa
162.15
Logp
1.44242
H Acceptors
9
H Donors
3
Rotatable Bonds
6
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: C₂₇H₂₉N₅O₇S₂
Molecular Weight: 599.68
Synonyms: None
SMILES: CC1=C(C(N[C@]([C@]2([H])N3[C@](C(N[C@]([C@]4([H])N5[C@@]([H])(C(O)=O)C(C)(C)S4)([H])C5=O)=O)([H])C(C)(C)S2)([H])C3=O)=O)C(C6=CC=CC=C6)=NO1
Tpsa: 162.15
Logp: 1.44242
H Acceptors: 9
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:
C₂₇H₂₉N₅O₇S₂
Molecular Weight:
599.68
Synonyms:
None
SMILES:
CC1=C(C(N[C@]([C@]2([H])N3[C@](C(N[C@]([C@]4([H])N5[C@@]([H])(C(O)=O)C(C)(C)S4)([H])C5=O)=O)([H])C(C)(C)S2)([H])C3=O)=O)C(C6=CC=CC=C6)=NO1
Tpsa:
162.15
Logp:
1.44242
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: RT, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₄KNO₂S
Molecular Weight: 169.24
Synonyms: Potassium [(cyanomethyl)thio]acetate
SMILES: O=C(CSCC#N)O[K]
Tpsa: 50.09
Logp: -0.13012
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
RT, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₄KNO₂S
Molecular Weight:
169.24
Synonyms:
Potassium [(cyanomethyl)thio]acetate
SMILES:
O=C(CSCC#N)O[K]
Tpsa:
50.09
Logp:
-0.13012
H Acceptors:
4
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: C₂₀H₂₂N₄O₉S₂
Molecular Weight: 526.54
Synonyms: None
SMILES: O=C([C@@]1([H])N)N2[C@]1([H])SCC(COC(C)=O)=C2C(N[C@]3([H])C(N4[C@]3([H])SCC(COC(C)=O)=C4C(O)=O)=O)=O
Tpsa: 185.64
Logp: -1.6523
H Acceptors: 11
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:
C₂₀H₂₂N₄O₉S₂
Molecular Weight:
526.54
Synonyms:
None
SMILES:
O=C([C@@]1([H])N)N2[C@]1([H])SCC(COC(C)=O)=C2C(N[C@]3([H])C(N4[C@]3([H])SCC(COC(C)=O)=C4C(O)=O)=O)=O
Tpsa:
185.64
Logp:
-1.6523
H Acceptors:
11
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: C₁₆H₁₇N₃O₄S
Molecular Weight: 347.39
Synonyms: (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
SMILES: O=C([C@@]1([H])NC([C@H](N)C2=CC=CC=C2)=O)N3[C@]1([H])SC=C(C)C3C(O)=O
Tpsa: 112.73
Logp: 0.4433
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:
C₁₆H₁₇N₃O₄S
Molecular Weight:
347.39
Synonyms:
(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
SMILES:
O=C([C@@]1([H])NC([C@H](N)C2=CC=CC=C2)=O)N3[C@]1([H])SC=C(C)C3C(O)=O
Tpsa:
112.73
Logp:
0.4433
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
4