CS-0497805
(3S,7R,7aR)-2,2-Dimethyl-5-(5-methyl-3-phenylisoxazol-4-yl)-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylic 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
C₁₉H₁₉N₃O₅S
Molecular Weight
401.44
Synonyms
None
SMILES
CC1=C(C(C2=CC=CC=C2)=NO1)C3=N[C@H](C(O)=O)[C@]4([H])N3[C@@H](C(O)=O)C(C)(C)S4
Tpsa
116.23
Logp
2.47012
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: C₁₉H₁₉N₃O₅S
Molecular Weight: 401.44
Synonyms: None
SMILES: CC1=C(C(C2=CC=CC=C2)=NO1)C3=N[C@H](C(O)=O)[C@]4([H])N3[C@@H](C(O)=O)C(C)(C)S4
Tpsa: 116.23
Logp: 2.47012
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:
C₁₉H₁₉N₃O₅S
Molecular Weight:
401.44
Synonyms:
None
SMILES:
CC1=C(C(C2=CC=CC=C2)=NO1)C3=N[C@H](C(O)=O)[C@]4([H])N3[C@@H](C(O)=O)C(C)(C)S4
Tpsa:
116.23
Logp:
2.47012
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: C₂₈H₂₈N₁₀O₉S₄
Molecular Weight: 776.84
Synonyms: None
SMILES: O=C(NC1=NC(/C(C(N[C@]2([H])C(N([C@]2([H])SC3)C(C(O)=O)=C3C)=O)=O)=N/OC)=CS1)C4=C(C)CS[C@@]5([H])N4C([C@@]5([H])NC(/C(C6=CSC(N)=N6)=N\OC)=O)=O
Tpsa: 260.2
Logp: -0.0461
H Acceptors: 17
H Donors: 5
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₈N₁₀O₉S₄
Molecular Weight:
776.84
Synonyms:
None
SMILES:
O=C(NC1=NC(/C(C(N[C@]2([H])C(N([C@]2([H])SC3)C(C(O)=O)=C3C)=O)=O)=N/OC)=CS1)C4=C(C)CS[C@@]5([H])N4C([C@@]5([H])NC(/C(C6=CSC(N)=N6)=N\OC)=O)=O
Tpsa:
260.2
Logp:
-0.0461
H Acceptors:
17
H Donors:
5
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₈N₂O₈S
Molecular Weight: 434.42
Synonyms: (6R-(6alpha,7beta(R*)))-3-(Acetoxymethyl)-7-((formyloxy)phenylacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
SMILES: OC(C1=C(COC(C)=O)CS[C@@]([C@@H]2NC([C@@H](C3=CC=CC=C3)OC=O)=O)([H])N1C2=O)=O
Tpsa: 139.31
Logp: 0.2024
H Acceptors: 8
H Donors: 2
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:
C₁₉H₁₈N₂O₈S
Molecular Weight:
434.42
Synonyms:
(6R-(6alpha,7beta(R*)))-3-(Acetoxymethyl)-7-((formyloxy)phenylacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
SMILES:
OC(C1=C(COC(C)=O)CS[C@@]([C@@H]2NC([C@@H](C3=CC=CC=C3)OC=O)=O)([H])N1C2=O)=O
Tpsa:
139.31
Logp:
0.2024
H Acceptors:
8
H Donors:
2
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: C₂₅H₂₉N₉O₇S₃
Molecular Weight: 663.75
Synonyms: None
SMILES: [O-]C(C1=C(C[N+]2(C)CCCC2)CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(NC(/C(C5=CSC(N)=N5)=N\OC)=O)=N4)=N\OC)=O)=O)=O
Tpsa: 213.62
Logp: -0.8342
H Acceptors: 15
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₉N₉O₇S₃
Molecular Weight:
663.75
Synonyms:
None
SMILES:
[O-]C(C1=C(C[N+]2(C)CCCC2)CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(NC(/C(C5=CSC(N)=N5)=N\OC)=O)=N4)=N\OC)=O)=O)=O
Tpsa:
213.62
Logp:
-0.8342
H Acceptors:
15
H Donors:
3
Rotatable Bonds:
11