CS-0497898
2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)-N-((5aR-trans)-1,7-dioxo-1,3,4,5a,6,7-hexahydroazeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl)acetamide Cefazedone Impurity
Manufacturer: ChemScene
CAS Number: 70150-41-3
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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
C₁₅H₁₁Cl₂N₃O₅S
Molecular Weight
416.24
Synonyms
(5AR-trans)-3,5-dichloro-4-oxo-N-(1,4,5a,6-tetrahydro-1,7-dioxo-3H,7H-azeto(2,1-b)furo(3,4-d)(1,3)thiazin-6-yl)-4H-pyridine-1-acetamide
SMILES
ClC1=CN(CC(N[C@@]2([H])[C@](SCC(CO3)=C4C3=O)([H])N4C2=O)=O)C=C(Cl)C1=O
Tpsa
97.71
Logp
0.3659
H Acceptors
7
H Donors
1
Rotatable Bonds
3
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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: C₁₅H₁₁Cl₂N₃O₅S
Molecular Weight: 416.24
Synonyms: (5AR-trans)-3,5-dichloro-4-oxo-N-(1,4,5a,6-tetrahydro-1,7-dioxo-3H,7H-azeto(2,1-b)furo(3,4-d)(1,3)thiazin-6-yl)-4H-pyridine-1-acetamide
SMILES: ClC1=CN(CC(N[C@@]2([H])[C@](SCC(CO3)=C4C3=O)([H])N4C2=O)=O)C=C(Cl)C1=O
Tpsa: 97.71
Logp: 0.3659
H Acceptors: 7
H Donors: 1
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:
C₁₅H₁₁Cl₂N₃O₅S
Molecular Weight:
416.24
Synonyms:
(5AR-trans)-3,5-dichloro-4-oxo-N-(1,4,5a,6-tetrahydro-1,7-dioxo-3H,7H-azeto(2,1-b)furo(3,4-d)(1,3)thiazin-6-yl)-4H-pyridine-1-acetamide
SMILES:
ClC1=CN(CC(N[C@@]2([H])[C@](SCC(CO3)=C4C3=O)([H])N4C2=O)=O)C=C(Cl)C1=O
Tpsa:
97.71
Logp:
0.3659
H Acceptors:
7
H Donors:
1
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: C₉H₁₁NS
Molecular Weight: 165.26
Synonyms: None
SMILES: CC1(C)CC(C=CS2)=C2C=N1
Tpsa: 12.36
Logp: 2.5017
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁NS
Molecular Weight:
165.26
Synonyms:
None
SMILES:
CC1(C)CC(C=CS2)=C2C=N1
Tpsa:
12.36
Logp:
2.5017
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂OS
Molecular Weight: 156.25
Synonyms: None
SMILES: OC(C)(CC1=CSC=C1)C
Tpsa: 20.23
Logp: 2.0615
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂OS
Molecular Weight:
156.25
Synonyms:
None
SMILES:
OC(C)(CC1=CSC=C1)C
Tpsa:
20.23
Logp:
2.0615
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
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