CS-0497712
(2S,5R,6R)-6-(3-(2-Chlorophenyl)-5-methylisoxazole-4-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
C₁₉H₁₈ClN₃O₅S
Molecular Weight
435.88
Synonyms
None
SMILES
ClC1=C(C2=NOC(C)=C2C(N[C@]([C@]3([H])N4[C@@]([H])(C(O)=O)C(C)(C)S3)([H])C4=O)=O)C=CC=C1
Tpsa
112.74
Logp
2.54872
H Acceptors
6
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: C₁₉H₁₈ClN₃O₅S
Molecular Weight: 435.88
Synonyms: None
SMILES: ClC1=C(C2=NOC(C)=C2C(N[C@]([C@]3([H])N4[C@@]([H])(C(O)=O)C(C)(C)S3)([H])C4=O)=O)C=CC=C1
Tpsa: 112.74
Logp: 2.54872
H Acceptors: 6
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:
C₁₉H₁₈ClN₃O₅S
Molecular Weight:
435.88
Synonyms:
None
SMILES:
ClC1=C(C2=NOC(C)=C2C(N[C@]([C@]3([H])N4[C@@]([H])(C(O)=O)C(C)(C)S3)([H])C4=O)=O)C=CC=C1
Tpsa:
112.74
Logp:
2.54872
H Acceptors:
6
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: C₂₁H₂₇N₃O₅S
Molecular Weight: 433.52
Synonyms: None
SMILES: CC1=C(C(O)=O)N(C([C@]2(NC([C@H](NC(C(C)(C)C)=O)C3=CCC=CC3)=O)[H])=O)[C@]2([H])SC1
Tpsa: 115.81
Logp: 1.5522
H Acceptors: 5
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:
C₂₁H₂₇N₃O₅S
Molecular Weight:
433.52
Synonyms:
None
SMILES:
CC1=C(C(O)=O)N(C([C@]2(NC([C@H](NC(C(C)(C)C)=O)C3=CCC=CC3)=O)[H])=O)[C@]2([H])SC1
Tpsa:
115.81
Logp:
1.5522
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
5
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