CS-0497826
2-(Carboxy(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)-3-(2-(4-carboxy-5,5-dimethylthiazolidin-2-yl)-2-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)acetyl)-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
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
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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₉ClN₄O₄S
Molecular Weight: 434.90
Synonyms: None
SMILES: O=C(N)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=CC=CC=C4Cl)=O)([H])C2=O
Tpsa: 118.53
Logp: 1.94942
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:
C₁₉H₁₉ClN₄O₄S
Molecular Weight:
434.90
Synonyms:
None
SMILES:
O=C(N)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC(C3=C(C)ON=C3C4=CC=CC=C4Cl)=O)([H])C2=O
Tpsa:
118.53
Logp:
1.94942
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4