CS-0497853
N-((2S,5R,6R)-2-Carbamoyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamide Cloxacillin 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
C₁₉H₁₈ClFN₄O₄S
Molecular Weight
452.89
Synonyms
None
SMILES
O=C(N)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=C(F)C=CC=C4Cl)=O)([H])C2=O
Tpsa
118.53
Logp
2.08852
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: C₁₉H₁₈ClFN₄O₄S
Molecular Weight: 452.89
Synonyms: None
SMILES: O=C(N)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=C(F)C=CC=C4Cl)=O)([H])C2=O
Tpsa: 118.53
Logp: 2.08852
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:
C₁₉H₁₈ClFN₄O₄S
Molecular Weight:
452.89
Synonyms:
None
SMILES:
O=C(N)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=C(F)C=CC=C4Cl)=O)([H])C2=O
Tpsa:
118.53
Logp:
2.08852
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: C₂₀H₁₉ClFN₃O₅S
Molecular Weight: 467.90
Synonyms: None
SMILES: O=C(OC)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=C(F)C=CC=C4Cl)=O)([H])C2=O
Tpsa: 101.74
Logp: 2.77622
H Acceptors: 7
H Donors: 1
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:
C₂₀H₁₉ClFN₃O₅S
Molecular Weight:
467.90
Synonyms:
None
SMILES:
O=C(OC)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=C(F)C=CC=C4Cl)=O)([H])C2=O
Tpsa:
101.74
Logp:
2.77622
H Acceptors:
7
H Donors:
1
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: C₁₇H₁₈N₂O₇S₂
Molecular Weight: 426.46
Synonyms: (6R,7S)-3-(Acetyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES: OC(C1=C(COC(C)=O)CS[C@@]2([H])N1C([C@@]2(OC)NC(CC3=CC=CS3)=O)=O)=O
Tpsa: 122.24
Logp: 0.5664
H Acceptors: 8
H Donors: 2
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:
C₁₇H₁₈N₂O₇S₂
Molecular Weight:
426.46
Synonyms:
(6R,7S)-3-(Acetyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES:
OC(C1=C(COC(C)=O)CS[C@@]2([H])N1C([C@@]2(OC)NC(CC3=CC=CS3)=O)=O)=O
Tpsa:
122.24
Logp:
0.5664
H Acceptors:
8
H Donors:
2
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: C₃₃H₃₇N₁₁O₁₀S₄
Molecular Weight: 875.97
Synonyms: None
SMILES: [O-]C(C1=C(C[N+]2(C)CCCC2)CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(NCC5=C(C(O)=O)N(C([C@@]6([H])NC(/C(C7=CSC(N)=N7)=N\OC)=O)=O)[C@]6([H])SC5)=N4)=N\OC)=O)=O)=O
Tpsa: 283.26
Logp: -1.6222
H Acceptors: 19
H Donors: 5
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₇N₁₁O₁₀S₄
Molecular Weight:
875.97
Synonyms:
None
SMILES:
[O-]C(C1=C(C[N+]2(C)CCCC2)CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(NCC5=C(C(O)=O)N(C([C@@]6([H])NC(/C(C7=CSC(N)=N7)=N\OC)=O)=O)[C@]6([H])SC5)=N4)=N\OC)=O)=O)=O
Tpsa:
283.26
Logp:
-1.6222
H Acceptors:
19
H Donors:
5
Rotatable Bonds:
15