CS-0497813
(2S,5R,6R)-6-((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-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 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
C₂₇H₂₈ClN₅O₇S₂
Molecular Weight
634.12
Synonyms
None
SMILES
O=C(N[C@]([C@]1([H])N2[C@@]([H])(C(O)=O)C(C)(C)S1)([H])C2=O)[C@@]3([H])C(C)(C)S[C@](N43)([H])[C@@](NC(C5=C(C)ON=C5C6=CC=CC=C6Cl)=O)([H])C4=O
Tpsa
162.15
Logp
2.09582
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: C₂₇H₂₈ClN₅O₇S₂
Molecular Weight: 634.12
Synonyms: None
SMILES: O=C(N[C@]([C@]1([H])N2[C@@]([H])(C(O)=O)C(C)(C)S1)([H])C2=O)[C@@]3([H])C(C)(C)S[C@](N43)([H])[C@@](NC(C5=C(C)ON=C5C6=CC=CC=C6Cl)=O)([H])C4=O
Tpsa: 162.15
Logp: 2.09582
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:
C₂₇H₂₈ClN₅O₇S₂
Molecular Weight:
634.12
Synonyms:
None
SMILES:
O=C(N[C@]([C@]1([H])N2[C@@]([H])(C(O)=O)C(C)(C)S1)([H])C2=O)[C@@]3([H])C(C)(C)S[C@](N43)([H])[C@@](NC(C5=C(C)ON=C5C6=CC=CC=C6Cl)=O)([H])C4=O
Tpsa:
162.15
Logp:
2.09582
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: C₂₅H₃₃N₅O₈S₂
Molecular Weight: 595.69
Synonyms: None
SMILES: O=C(C1=C(C)CS[C@@]2([H])N1C([C@@]2([H])NC(/C(C3=CSC(NC(C(C)(C)C)=O)=N3)=N\OC)=O)=O)OCOC(C(C)(C)C)=O
Tpsa: 165.59
Logp: 2.2421
H Acceptors: 12
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:
C₂₅H₃₃N₅O₈S₂
Molecular Weight:
595.69
Synonyms:
None
SMILES:
O=C(C1=C(C)CS[C@@]2([H])N1C([C@@]2([H])NC(/C(C3=CSC(NC(C(C)(C)C)=O)=N3)=N\OC)=O)=O)OCOC(C(C)(C)C)=O
Tpsa:
165.59
Logp:
2.2421
H Acceptors:
12
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: C₂₀H₂₂ClN₃O₆S
Molecular Weight: 467.92
Synonyms: None
SMILES: O=C(NC(C(OC)=O)C1SC(C)(C)[C@]([H])(C(O)=O)N1)C2=C(C)ON=C2C3=CC=CC=C3Cl
Tpsa: 130.76
Logp: 2.46912
H Acceptors: 8
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:
C₂₀H₂₂ClN₃O₆S
Molecular Weight:
467.92
Synonyms:
None
SMILES:
O=C(NC(C(OC)=O)C1SC(C)(C)[C@]([H])(C(O)=O)N1)C2=C(C)ON=C2C3=CC=CC=C3Cl
Tpsa:
130.76
Logp:
2.46912
H Acceptors:
8
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: C₂₀H₂₅N₅O₇S₂
Molecular Weight: 511.57
Synonyms: (E)-Cefetamet Pivoxil
SMILES: CC(C)(C)C(OCOC(C1=C(C)CS[C@@]([C@@H]2NC(/C(C3=CSC(N)=N3)=N/OC)=O)([H])N1C2=O)=O)=O
Tpsa: 162.51
Logp: 0.8397
H Acceptors: 12
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:
C₂₀H₂₅N₅O₇S₂
Molecular Weight:
511.57
Synonyms:
(E)-Cefetamet Pivoxil
SMILES:
CC(C)(C)C(OCOC(C1=C(C)CS[C@@]([C@@H]2NC(/C(C3=CSC(N)=N3)=N/OC)=O)([H])N1C2=O)=O)=O
Tpsa:
162.51
Logp:
0.8397
H Acceptors:
12
H Donors:
2
Rotatable Bonds:
7