CS-0497612
(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide Cefalotin Impurity
Manufacturer: ChemScene
CAS Number: 40224-61-1
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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
C₁₆H₁₆N₂O₇S₂
Molecular Weight
412.44
Synonyms
None
SMILES
O=C([C@]1(NC(CC2=CC=CS2)=O)[H])N3[C@]1([H])S(CC(COC(C)=O)=C3C(O)=O)=O
Tpsa
130.08
Logp
-0.3922
H Acceptors
7
H Donors
2
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 40224-61-1 | (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide Cefalotin Impurity | A2B Chem | -- |
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https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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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: C₁₆H₁₆N₂O₇S₂
Molecular Weight: 412.44
Synonyms: None
SMILES: O=C([C@]1(NC(CC2=CC=CS2)=O)[H])N3[C@]1([H])S(CC(COC(C)=O)=C3C(O)=O)=O
Tpsa: 130.08
Logp: -0.3922
H Acceptors: 7
H Donors: 2
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:
C₁₆H₁₆N₂O₇S₂
Molecular Weight:
412.44
Synonyms:
None
SMILES:
O=C([C@]1(NC(CC2=CC=CS2)=O)[H])N3[C@]1([H])S(CC(COC(C)=O)=C3C(O)=O)=O
Tpsa:
130.08
Logp:
-0.3922
H Acceptors:
7
H Donors:
2
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: C₁₉H₁₇N₅O₇S₃
Molecular Weight: 523.56
Synonyms: Ceftiofur USP Impurity I,Δ3-Ceftiofur
SMILES: OC(C1N2[C@@](SC=C1CSC(C3=CC=CO3)=O)([H])[C@@H](C2=O)NC(/C(C4=CSC(N)=N4)=N\OC)=O)=O
Tpsa: 177.42
Logp: 0.9794
H Acceptors: 12
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:
C₁₉H₁₇N₅O₇S₃
Molecular Weight:
523.56
Synonyms:
Ceftiofur USP Impurity I,Δ3-Ceftiofur
SMILES:
OC(C1N2[C@@](SC=C1CSC(C3=CC=CO3)=O)([H])[C@@H](C2=O)NC(/C(C4=CSC(N)=N4)=N\OC)=O)=O
Tpsa:
177.42
Logp:
0.9794
H Acceptors:
12
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: C₁₇H₁₇N₅O₇S₂
Molecular Weight: 467.48
Synonyms: Cefixime Side Chain Methyl Ester
SMILES: OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(/C(C3=CSC(N)=N3)=N\OCC(OC)=O)=O)=O)=O
Tpsa: 173.51
Logp: -0.4564
H Acceptors: 11
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:
C₁₇H₁₇N₅O₇S₂
Molecular Weight:
467.48
Synonyms:
Cefixime Side Chain Methyl Ester
SMILES:
OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(/C(C3=CSC(N)=N3)=N\OCC(OC)=O)=O)=O)=O
Tpsa:
173.51
Logp:
-0.4564
H Acceptors:
11
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: C₁₆H₂₂N₄O₅S₂
Molecular Weight: 414.50
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC([C@H]3C(C)(C)S[C@](N43)([H])[C@@](N)([H])C4=O)=O)([H])C2=O
Tpsa: 133.04
Logp: -0.9923
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂N₄O₅S₂
Molecular Weight:
414.50
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC([C@H]3C(C)(C)S[C@](N43)([H])[C@@](N)([H])C4=O)=O)([H])C2=O
Tpsa:
133.04
Logp:
-0.9923
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
3