CS-0497910
(6R-trans)-7-(2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cefazedone Impurity
Manufacturer: ChemScene
CAS Number: 70149-63-2
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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
C₁₅H₁₃Cl₂N₃O₅S
Molecular Weight
418.25
Synonyms
(6R,7R)-7-{[(3,5-Dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES
ClC1=CN(CC(N[C@@]2([H])[C@](SCC(C)=C3C(O)=O)([H])N3C2=O)=O)C=C(Cl)C1=O
Tpsa
108.71
Logp
0.9136
H Acceptors
6
H Donors
2
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 70149-63-2 | Cefazedone Related Impurity 4 | A2B Chem | -- |
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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: C₁₅H₁₃Cl₂N₃O₅S
Molecular Weight: 418.25
Synonyms: (6R,7R)-7-{[(3,5-Dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES: ClC1=CN(CC(N[C@@]2([H])[C@](SCC(C)=C3C(O)=O)([H])N3C2=O)=O)C=C(Cl)C1=O
Tpsa: 108.71
Logp: 0.9136
H Acceptors: 6
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:
C₁₅H₁₃Cl₂N₃O₅S
Molecular Weight:
418.25
Synonyms:
(6R,7R)-7-{[(3,5-Dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES:
ClC1=CN(CC(N[C@@]2([H])[C@](SCC(C)=C3C(O)=O)([H])N3C2=O)=O)C=C(Cl)C1=O
Tpsa:
108.71
Logp:
0.9136
H Acceptors:
6
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: C₁₇H₁₅Cl₂N₃O₇S
Molecular Weight: 476.29
Synonyms: Cefazedone Related Impurity 6
SMILES: OC(C1=C(COC(C)=O)CS[C@@]2([H])N1C([C@@]2([H])NC(CN3C=C(Cl)C(C(Cl)=C3)=O)=O)=O)=O
Tpsa: 135.01
Logp: 0.4568
H Acceptors: 8
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:
C₁₇H₁₅Cl₂N₃O₇S
Molecular Weight:
476.29
Synonyms:
Cefazedone Related Impurity 6
SMILES:
OC(C1=C(COC(C)=O)CS[C@@]2([H])N1C([C@@]2([H])NC(CN3C=C(Cl)C(C(Cl)=C3)=O)=O)=O)=O
Tpsa:
135.01
Logp:
0.4568
H Acceptors:
8
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: C₁₄H₁₅N₃O₃
Molecular Weight: 273.29
Synonyms: None
SMILES: OC(CO/N=C(C)/C(N1)=C(C)N=C1C2=CC=CC=C2)=O
Tpsa: 87.57
Logp: 2.21032
H Acceptors: 4
H Donors: 2
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:
C₁₄H₁₅N₃O₃
Molecular Weight:
273.29
Synonyms:
None
SMILES:
OC(CO/N=C(C)/C(N1)=C(C)N=C1C2=CC=CC=C2)=O
Tpsa:
87.57
Logp:
2.21032
H Acceptors:
4
H Donors:
2
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: C₁₈H₁₇Cl₂N₃O₇S
Molecular Weight: 490.31
Synonyms: None
SMILES: [H][C@@]1(NC(CN2C=C(Cl)C(C(Cl)=C2)=O)=O)C(N3[C@]1([H])SCC(COC(C)=O)=C3C(OC)=O)=O
Tpsa: 124.01
Logp: 0.5452
H Acceptors: 9
H Donors: 1
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:
C₁₈H₁₇Cl₂N₃O₇S
Molecular Weight:
490.31
Synonyms:
None
SMILES:
[H][C@@]1(NC(CN2C=C(Cl)C(C(Cl)=C2)=O)=O)C(N3[C@]1([H])SCC(COC(C)=O)=C3C(OC)=O)=O
Tpsa:
124.01
Logp:
0.5452
H Acceptors:
9
H Donors:
1
Rotatable Bonds:
6