CS-0497775
(2S,5R,6R)-6-((R)-2-((2R,4S)-4-Carboxy-5,5-dimethylthiazolidin-2-yl)-2-(5-methyl-3-phenylisoxazole-4-carboxamido)acetamido)-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
C₂₇H₃₁N₅O₈S₂
Molecular Weight
617.69
Synonyms
None
SMILES
CC1=C(C(N[C@]([C@@]2([H])SC(C)(C)[C@]([H])(C(O)=O)N2)([H])C(N[C@]3([H])C(N4[C@]3([H])SC(C)(C)[C@]4([H])C(O)=O)=O)=O)=O)C(C5=CC=CC=C5)=NO1
Tpsa
191.17
Logp
1.27442
H Acceptors
10
H Donors
5
Rotatable Bonds
8
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: C₂₇H₃₁N₅O₈S₂
Molecular Weight: 617.69
Synonyms: None
SMILES: CC1=C(C(N[C@]([C@@]2([H])SC(C)(C)[C@]([H])(C(O)=O)N2)([H])C(N[C@]3([H])C(N4[C@]3([H])SC(C)(C)[C@]4([H])C(O)=O)=O)=O)=O)C(C5=CC=CC=C5)=NO1
Tpsa: 191.17
Logp: 1.27442
H Acceptors: 10
H Donors: 5
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₁N₅O₈S₂
Molecular Weight:
617.69
Synonyms:
None
SMILES:
CC1=C(C(N[C@]([C@@]2([H])SC(C)(C)[C@]([H])(C(O)=O)N2)([H])C(N[C@]3([H])C(N4[C@]3([H])SC(C)(C)[C@]4([H])C(O)=O)=O)=O)=O)C(C5=CC=CC=C5)=NO1
Tpsa:
191.17
Logp:
1.27442
H Acceptors:
10
H Donors:
5
Rotatable Bonds:
8
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: None
SMILES: OC(C1=C(C)CS[C@@]2([H])N1C([C@@]2(NC([C@H](N)C3=CC=CC=C3)=O)[H])=O)=O
Tpsa: 112.73
Logp: 0.4449
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:
None
SMILES:
OC(C1=C(C)CS[C@@]2([H])N1C([C@@]2(NC([C@H](N)C3=CC=CC=C3)=O)[H])=O)=O
Tpsa:
112.73
Logp:
0.4449
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: C₁₀H₈Cl₂N₂O₄S
Molecular Weight: 323.15
Synonyms: None
SMILES: [H][C@@]1(NC(C(Cl)Cl)=O)C(N2[C@]1([H])SCC(CO3)=C2C3=O)=O
Tpsa: 75.71
Logp: 0.0009
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₈Cl₂N₂O₄S
Molecular Weight:
323.15
Synonyms:
None
SMILES:
[H][C@@]1(NC(C(Cl)Cl)=O)C(N2[C@]1([H])SCC(CO3)=C2C3=O)=O
Tpsa:
75.71
Logp:
0.0009
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₃N₇O₇S₃
Molecular Weight: 593.66
Synonyms: None
SMILES: OC(C1=C(C)CS[C@@]([C@]2([H])NC(C3=C(C)CS[C@@]4([H])N3C([C@@]4([H])NC(/C(C5=CSC(N)=N5)=N\OC)=O)=O)=O)([H])N1C2=O)=O
Tpsa: 196.62
Logp: -0.4918
H Acceptors: 12
H Donors: 4
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:
C₂₂H₂₃N₇O₇S₃
Molecular Weight:
593.66
Synonyms:
None
SMILES:
OC(C1=C(C)CS[C@@]([C@]2([H])NC(C3=C(C)CS[C@@]4([H])N3C([C@@]4([H])NC(/C(C5=CSC(N)=N5)=N\OC)=O)=O)=O)([H])N1C2=O)=O
Tpsa:
196.62
Logp:
-0.4918
H Acceptors:
12
H Donors:
4
Rotatable Bonds:
7