CS-0497874
(2S,5R,6R)-Ethyl 6-(3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 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
C₂₁H₂₁ClFN₃O₅S
Molecular Weight
481.92
Synonyms
None
SMILES
O=C(OCC)[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
3.16632
H Acceptors
7
H Donors
1
Rotatable Bonds
5
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: C₂₁H₂₁ClFN₃O₅S
Molecular Weight: 481.92
Synonyms: None
SMILES: O=C(OCC)[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: 3.16632
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:
C₂₁H₂₁ClFN₃O₅S
Molecular Weight:
481.92
Synonyms:
None
SMILES:
O=C(OCC)[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:
3.16632
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: C₇H₁₂F₃NO
Molecular Weight: 183.17
Synonyms: None
SMILES: FC(F)(F)OC1(C)CCNCC1
Tpsa: 21.26
Logp: 1.6649
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₂F₃NO
Molecular Weight:
183.17
Synonyms:
None
SMILES:
FC(F)(F)OC1(C)CCNCC1
Tpsa:
21.26
Logp:
1.6649
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆N₄O₆S
Molecular Weight: 344.34
Synonyms: None
SMILES: O=C(N[C@H](C(O)=O)CCCC(O)=O)/C(C1=CSC(N)=N1)=N\OC
Tpsa: 164.2
Logp: -0.0999
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆N₄O₆S
Molecular Weight:
344.34
Synonyms:
None
SMILES:
O=C(N[C@H](C(O)=O)CCCC(O)=O)/C(C1=CSC(N)=N1)=N\OC
Tpsa:
164.2
Logp:
-0.0999
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₁N₃O₉S₂
Molecular Weight: 463.48
Synonyms: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[[(2-amino-2-carboxyethyl)thio]acetyl]amino]-7-methoxy-8-oxo-, [6R-[6α,7α,7(S*)]]- (9CI)
SMILES: O=C1[C@@]([C@]2([H])N1C(C(O)=O)=C(COC(C)=O)CS2)(OC)NC(CSC[C@@H](N)C(O)=O)=O
Tpsa: 185.56
Logp: -1.5927
H Acceptors: 10
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:
C₁₆H₂₁N₃O₉S₂
Molecular Weight:
463.48
Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[[(2-amino-2-carboxyethyl)thio]acetyl]amino]-7-methoxy-8-oxo-, [6R-[6α,7α,7(S*)]]- (9CI)
SMILES:
O=C1[C@@]([C@]2([H])N1C(C(O)=O)=C(COC(C)=O)CS2)(OC)NC(CSC[C@@H](N)C(O)=O)=O
Tpsa:
185.56
Logp:
-1.5927
H Acceptors:
10
H Donors:
4
Rotatable Bonds:
10