CS-0497524
(6R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-yl)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5-oxide Cefpirome 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
C₂₂H₂₂N₆O₆S₂
Molecular Weight
530.58
Synonyms
None
SMILES
O=C([O-])C(N(C(C1([H])NC(/C(C2=CSC(N)=N2)=N\OC)=O)=O)[C@]1([H])S(C3)=O)=C3C[N+]4=CC=CC5=C4CCC5
Tpsa
170.99
Logp
-2.0284
H Acceptors
10
H Donors
2
Rotatable Bonds
7
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: C₂₂H₂₂N₆O₆S₂
Molecular Weight: 530.58
Synonyms: None
SMILES: O=C([O-])C(N(C(C1([H])NC(/C(C2=CSC(N)=N2)=N\OC)=O)=O)[C@]1([H])S(C3)=O)=C3C[N+]4=CC=CC5=C4CCC5
Tpsa: 170.99
Logp: -2.0284
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:
C₂₂H₂₂N₆O₆S₂
Molecular Weight:
530.58
Synonyms:
None
SMILES:
O=C([O-])C(N(C(C1([H])NC(/C(C2=CSC(N)=N2)=N\OC)=O)=O)[C@]1([H])S(C3)=O)=C3C[N+]4=CC=CC5=C4CCC5
Tpsa:
170.99
Logp:
-2.0284
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: C₁₆H₁₇N₉O₅S₃
Molecular Weight: 511.56
Synonyms: (2R,6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
SMILES: OC(C1C(CSC2=NN=NN2C)=CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(N)=N4)=N\OC)=O)=O)=O
Tpsa: 190.81
Logp: -0.8714
H Acceptors: 14
H Donors: 3
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:
C₁₆H₁₇N₉O₅S₃
Molecular Weight:
511.56
Synonyms:
(2R,6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
SMILES:
OC(C1C(CSC2=NN=NN2C)=CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(N)=N4)=N\OC)=O)=O)=O
Tpsa:
190.81
Logp:
-0.8714
H Acceptors:
14
H Donors:
3
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: C₁₆H₁₇N₃O₅S
Molecular Weight: 363.39
Synonyms: Cefadroxil anhydrous, L-
SMILES: OC(C1=C(C)CS[C@@]([C@@H]2NC([C@H](C3=CC=C(C=C3)O)N)=O)([H])N1C2=O)=O
Tpsa: 132.96
Logp: 0.1505
H Acceptors: 6
H Donors: 4
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:
C₁₆H₁₇N₃O₅S
Molecular Weight:
363.39
Synonyms:
Cefadroxil anhydrous, L-
SMILES:
OC(C1=C(C)CS[C@@]([C@@H]2NC([C@H](C3=CC=C(C=C3)O)N)=O)([H])N1C2=O)=O
Tpsa:
132.96
Logp:
0.1505
H Acceptors:
6
H Donors:
4
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: C₁₉H₂₁N₃O₇S
Molecular Weight: 435.45
Synonyms: None
SMILES: OC(C=C1)=CC=C1[C@@H](NC(OCC)=O)C(N[C@@]2([H])[C@](SCC(C)=C3C(O)=O)([H])N3C2=O)=O
Tpsa: 145.27
Logp: 0.9379
H Acceptors: 7
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:
C₁₉H₂₁N₃O₇S
Molecular Weight:
435.45
Synonyms:
None
SMILES:
OC(C=C1)=CC=C1[C@@H](NC(OCC)=O)C(N[C@@]2([H])[C@](SCC(C)=C3C(O)=O)([H])N3C2=O)=O
Tpsa:
145.27
Logp:
0.9379
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
6