CS-0497823
(2R,4S)-2-(Carboxy(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)-3-((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-carbonyl)-5,5-dimethylthiazolidine-4-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
C₃₈H₃₆Cl₂N₆O₁₀S₂
Molecular Weight
871.76
Synonyms
None
SMILES
O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(O)=O)NC(C2=C(C)ON=C2C3=CC=CC=C3Cl)=O)N1C([C@H]4C(C)(C)S[C@](N54)([H])[C@@](NC(C6=C(C)ON=C6C7=CC=CC=C7Cl)=O)([H])C5=O)=O
Tpsa
225.48
Logp
5.09744
H Acceptors
12
H Donors
4
Rotatable Bonds
10
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: C₃₈H₃₆Cl₂N₆O₁₀S₂
Molecular Weight: 871.76
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(O)=O)NC(C2=C(C)ON=C2C3=CC=CC=C3Cl)=O)N1C([C@H]4C(C)(C)S[C@](N54)([H])[C@@](NC(C6=C(C)ON=C6C7=CC=CC=C7Cl)=O)([H])C5=O)=O
Tpsa: 225.48
Logp: 5.09744
H Acceptors: 12
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₃₆Cl₂N₆O₁₀S₂
Molecular Weight:
871.76
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(O)=O)NC(C2=C(C)ON=C2C3=CC=CC=C3Cl)=O)N1C([C@H]4C(C)(C)S[C@](N54)([H])[C@@](NC(C6=C(C)ON=C6C7=CC=CC=C7Cl)=O)([H])C5=O)=O
Tpsa:
225.48
Logp:
5.09744
H Acceptors:
12
H Donors:
4
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₃₈Cl₂N₆O₁₁S₂
Molecular Weight: 889.78
Synonyms: None
SMILES: O=C(C1=C(C)ON=C1C2=CC=CC=C2Cl)NC(C3NC([H])(C(O)=O)C(C)(C)S3)C(N4C([H])(C(O)=O)C(C)(C)SC4C(C(O)=O)NC(C5=C(C)ON=C5C6=CC=CC=C6Cl)=O)=O
Tpsa: 254.5
Logp: 4.92944
H Acceptors: 13
H Donors: 6
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₃₈Cl₂N₆O₁₁S₂
Molecular Weight:
889.78
Synonyms:
None
SMILES:
O=C(C1=C(C)ON=C1C2=CC=CC=C2Cl)NC(C3NC([H])(C(O)=O)C(C)(C)S3)C(N4C([H])(C(O)=O)C(C)(C)SC4C(C(O)=O)NC(C5=C(C)ON=C5C6=CC=CC=C6Cl)=O)=O
Tpsa:
254.5
Logp:
4.92944
H Acceptors:
13
H Donors:
6
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₀ClN₃O₅S
Molecular Weight: 449.91
Synonyms: None
SMILES: O=C(OC)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=CC=CC=C4Cl)=O)([H])C2=O
Tpsa: 101.74
Logp: 2.63712
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:
C₂₀H₂₀ClN₃O₅S
Molecular Weight:
449.91
Synonyms:
None
SMILES:
O=C(OC)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=CC=CC=C4Cl)=O)([H])C2=O
Tpsa:
101.74
Logp:
2.63712
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: C₂₁H₂₂ClN₃O₅S
Molecular Weight: 463.93
Synonyms: None
SMILES: O=C(OCC)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=CC=CC=C4Cl)=O)([H])C2=O
Tpsa: 101.74
Logp: 3.02722
H Acceptors: 7
H Donors: 1
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:
C₂₁H₂₂ClN₃O₅S
Molecular Weight:
463.93
Synonyms:
None
SMILES:
O=C(OCC)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=CC=CC=C4Cl)=O)([H])C2=O
Tpsa:
101.74
Logp:
3.02722
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
5