CS-0498070
(6R,7R)-7-((Z)-2-(2-Acetamidothiazol-4-yl)-2-(hydroxyimino)acetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cefdinir 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
C₁₆H₁₅N₅O₆S₂
Molecular Weight
437.45
Synonyms
None
SMILES
OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(/C(C3=CSC(NC(C)=O)=N3)=N\O)=O)=O)=O
Tpsa
161.29
Logp
0.2044
H Acceptors
9
H Donors
4
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: C₁₆H₁₅N₅O₆S₂
Molecular Weight: 437.45
Synonyms: None
SMILES: OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(/C(C3=CSC(NC(C)=O)=N3)=N\O)=O)=O)=O
Tpsa: 161.29
Logp: 0.2044
H Acceptors: 9
H Donors: 4
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:
C₁₆H₁₅N₅O₆S₂
Molecular Weight:
437.45
Synonyms:
None
SMILES:
OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(/C(C3=CSC(NC(C)=O)=N3)=N\O)=O)=O)=O
Tpsa:
161.29
Logp:
0.2044
H Acceptors:
9
H Donors:
4
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: C₃₅H₃₈N₈O₁₁S₃
Molecular Weight: 842.92
Synonyms: None
SMILES: CC([C@]1([H])C(O)=O)(C)S[C@@]2([H])N1C([C@@]2([H])NC([C@@](NC([C@]3([H])N(C([C@@]4([H])NC([C@@](NC(N5CCN(S(C)(=O)=O)C5=O)=O)([H])C6=CC=CC=C6)=O)=O)[C@]4([H])SC3)=O)([H])C7=CC=CC=C7)=O)=O
Tpsa: 252.01
Logp: -0.6078
H Acceptors: 12
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:
C₃₅H₃₈N₈O₁₁S₃
Molecular Weight:
842.92
Synonyms:
None
SMILES:
CC([C@]1([H])C(O)=O)(C)S[C@@]2([H])N1C([C@@]2([H])NC([C@@](NC([C@]3([H])N(C([C@@]4([H])NC([C@@](NC(N5CCN(S(C)(=O)=O)C5=O)=O)([H])C6=CC=CC=C6)=O)=O)[C@]4([H])SC3)=O)([H])C7=CC=CC=C7)=O)=O
Tpsa:
252.01
Logp:
-0.6078
H Acceptors:
12
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: C₂₆H₂₄N₁₀O₉S₄
Molecular Weight: 748.79
Synonyms: None
SMILES: O=C1[C@@]([H])(NC(/C(C2=CSC(NC(C3=CCS[C@@]4([H])N3C([C@]4(NC(/C(C5=CSC(N)=N5)=N\OC)=O)[H])=O)=O)=N2)=N\OC)=O)[C@]6([H])N1C(C(O)=O)=CCS6
Tpsa: 260.2
Logp: -0.8263
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:
C₂₆H₂₄N₁₀O₉S₄
Molecular Weight:
748.79
Synonyms:
None
SMILES:
O=C1[C@@]([H])(NC(/C(C2=CSC(NC(C3=CCS[C@@]4([H])N3C([C@]4(NC(/C(C5=CSC(N)=N5)=N\OC)=O)[H])=O)=O)=N2)=N\OC)=O)[C@]6([H])N1C(C(O)=O)=CCS6
Tpsa:
260.2
Logp:
-0.8263
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: C₂₃H₂₁N₇O₇S₃
Molecular Weight: 603.65
Synonyms: None
SMILES: [H][C@@]1(NC(/C(C2=CSC(N)=N2)=N\O)=O)C(N3[C@]1([H])SCC(C=C)=C3C(N[C@]4([H])C(N5[C@]4([H])SCC(C=C)=C5C(O)=O)=O)=O)=O
Tpsa: 207.62
Logp: -0.3318
H Acceptors: 12
H Donors: 5
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:
C₂₃H₂₁N₇O₇S₃
Molecular Weight:
603.65
Synonyms:
None
SMILES:
[H][C@@]1(NC(/C(C2=CSC(N)=N2)=N\O)=O)C(N3[C@]1([H])SCC(C=C)=C3C(N[C@]4([H])C(N5[C@]4([H])SCC(C=C)=C5C(O)=O)=O)=O)=O
Tpsa:
207.62
Logp:
-0.3318
H Acceptors:
12
H Donors:
5
Rotatable Bonds:
8