CS-0497802
(2R,4S)-2-(Carboxy(5-methyl-3-phenylisoxazole-4-carboxamido)methyl)-3-((2S,5R,6R)-3,3-dimethyl-6-(5-methyl-3-phenylisoxazole-4-carboxamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)-5,5-dimethylthiazolidine-4-carboxylic acid Oxacillin 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
C₃₈H₃₈N₆O₁₀S₂
Molecular Weight
802.87
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=C3)=O)N1C([C@H]4C(C)(C)S[C@](N54)([H])[C@@](NC(C6=C(C)ON=C6C7=CC=CC=C7)=O)([H])C5=O)=O
Tpsa
225.48
Logp
3.79064
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: C₃₈H₃₈N₆O₁₀S₂
Molecular Weight: 802.87
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=C3)=O)N1C([C@H]4C(C)(C)S[C@](N54)([H])[C@@](NC(C6=C(C)ON=C6C7=CC=CC=C7)=O)([H])C5=O)=O
Tpsa: 225.48
Logp: 3.79064
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:
C₃₈H₃₈N₆O₁₀S₂
Molecular Weight:
802.87
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=C3)=O)N1C([C@H]4C(C)(C)S[C@](N54)([H])[C@@](NC(C6=C(C)ON=C6C7=CC=CC=C7)=O)([H])C5=O)=O
Tpsa:
225.48
Logp:
3.79064
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: C₁₉H₂₄N₆O₅S₂
Molecular Weight: 480.56
Synonyms: Cefepime, E-
SMILES: [O-]C(C1=C(C[N+]2(C)CCCC2)CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(N)=N4)=N/OC)=O)=O)=O
Tpsa: 150.04
Logp: -1.2799
H Acceptors: 10
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:
C₁₉H₂₄N₆O₅S₂
Molecular Weight:
480.56
Synonyms:
Cefepime, E-
SMILES:
[O-]C(C1=C(C[N+]2(C)CCCC2)CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(N)=N4)=N/OC)=O)=O)=O
Tpsa:
150.04
Logp:
-1.2799
H Acceptors:
10
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: C₁₉H₁₉N₃O₅S
Molecular Weight: 401.44
Synonyms: None
SMILES: CC1=C(C(C2=CC=CC=C2)=NO1)C3=N[C@H](C(O)=O)[C@]4([H])N3[C@@H](C(O)=O)C(C)(C)S4
Tpsa: 116.23
Logp: 2.47012
H Acceptors: 7
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:
C₁₉H₁₉N₃O₅S
Molecular Weight:
401.44
Synonyms:
None
SMILES:
CC1=C(C(C2=CC=CC=C2)=NO1)C3=N[C@H](C(O)=O)[C@]4([H])N3[C@@H](C(O)=O)C(C)(C)S4
Tpsa:
116.23
Logp:
2.47012
H Acceptors:
7
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: C₂₈H₂₈N₁₀O₉S₄
Molecular Weight: 776.84
Synonyms: None
SMILES: O=C(NC1=NC(/C(C(N[C@]2([H])C(N([C@]2([H])SC3)C(C(O)=O)=C3C)=O)=O)=N/OC)=CS1)C4=C(C)CS[C@@]5([H])N4C([C@@]5([H])NC(/C(C6=CSC(N)=N6)=N\OC)=O)=O
Tpsa: 260.2
Logp: -0.0461
H Acceptors: 17
H Donors: 5
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₈N₁₀O₉S₄
Molecular Weight:
776.84
Synonyms:
None
SMILES:
O=C(NC1=NC(/C(C(N[C@]2([H])C(N([C@]2([H])SC3)C(C(O)=O)=C3C)=O)=O)=N/OC)=CS1)C4=C(C)CS[C@@]5([H])N4C([C@@]5([H])NC(/C(C6=CSC(N)=N6)=N\OC)=O)=O
Tpsa:
260.2
Logp:
-0.0461
H Acceptors:
17
H Donors:
5
Rotatable Bonds:
11