CS-0497891
(6R,7R)-7-(2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide Cefazedone 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
C₁₈H₁₅Cl₂N₅O₆S₃
Molecular Weight
564.44
Synonyms
None
SMILES
ClC1=CN(CC(N[C@@]2([H])[C@](S(CC(CSC3=NN=C(C)S3)=C4C(O)=O)=O)([H])N4C2=O)=O)C=C(Cl)C1=O
Tpsa
151.56
Logp
0.86142
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: C₁₈H₁₅Cl₂N₅O₆S₃
Molecular Weight: 564.44
Synonyms: None
SMILES: ClC1=CN(CC(N[C@@]2([H])[C@](S(CC(CSC3=NN=C(C)S3)=C4C(O)=O)=O)([H])N4C2=O)=O)C=C(Cl)C1=O
Tpsa: 151.56
Logp: 0.86142
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:
C₁₈H₁₅Cl₂N₅O₆S₃
Molecular Weight:
564.44
Synonyms:
None
SMILES:
ClC1=CN(CC(N[C@@]2([H])[C@](S(CC(CSC3=NN=C(C)S3)=C4C(O)=O)=O)([H])N4C2=O)=O)C=C(Cl)C1=O
Tpsa:
151.56
Logp:
0.86142
H Acceptors:
10
H Donors:
2
Rotatable Bonds:
7
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃NS
Molecular Weight: 167.27
Synonyms: Thieno[2,3-c]pyridine, 4,5,6,7-tetrahydro-5,5-dimethyl- (9CI)
SMILES: CC1(C)CC(C=CS2)=C2CN1
Tpsa: 12.03
Logp: 2.1724
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃NS
Molecular Weight:
167.27
Synonyms:
Thieno[2,3-c]pyridine, 4,5,6,7-tetrahydro-5,5-dimethyl- (9CI)
SMILES:
CC1(C)CC(C=CS2)=C2CN1
Tpsa:
12.03
Logp:
2.1724
H Acceptors:
2
H Donors:
1
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: 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