CS-0497701
(6R,7R)-3-(Acetoxymethyl)-7-((Z)-2-(2-((6R,7R)-3-(acetoxymethyl)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamido)thiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cefotaxime 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
C₃₂H₃₂N₁₀O₁₃S₄
Molecular Weight
892.92
Synonyms
None
SMILES
[H][C@@]1(NC(/C(C2=CSC(NC(C3=C(COC(C)=O)CS[C@@]4([H])N3C([C@@]4([H])NC(/C(C5=CSC(N)=N5)=N\OC)=O)=O)=O)=N2)=N\OC)=O)C(N6[C@]1([H])SCC(COC(C)=O)=C6C(O)=O)=O
Tpsa
312.8
Logp
-0.9597
H Acceptors
21
H Donors
5
Rotatable Bonds
15
Other Options
...
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SAFETY INFORMATION
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: C₃₂H₃₂N₁₀O₁₃S₄
Molecular Weight: 892.92
Synonyms: None
SMILES: [H][C@@]1(NC(/C(C2=CSC(NC(C3=C(COC(C)=O)CS[C@@]4([H])N3C([C@@]4([H])NC(/C(C5=CSC(N)=N5)=N\OC)=O)=O)=O)=N2)=N\OC)=O)C(N6[C@]1([H])SCC(COC(C)=O)=C6C(O)=O)=O
Tpsa: 312.8
Logp: -0.9597
H Acceptors: 21
H Donors: 5
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₂N₁₀O₁₃S₄
Molecular Weight:
892.92
Synonyms:
None
SMILES:
[H][C@@]1(NC(/C(C2=CSC(NC(C3=C(COC(C)=O)CS[C@@]4([H])N3C([C@@]4([H])NC(/C(C5=CSC(N)=N5)=N\OC)=O)=O)=O)=N2)=N\OC)=O)C(N6[C@]1([H])SCC(COC(C)=O)=C6C(O)=O)=O
Tpsa:
312.8
Logp:
-0.9597
H Acceptors:
21
H Donors:
5
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₁N₃O₄S
Molecular Weight: 351.42
Synonyms: 4',5'-Dihydrocefradine
SMILES: CC1=C(C(O)=O)N(C([C@]2(NC([C@H](N)C3=CCCCC3)=O)[H])=O)[C@]2([H])SC1
Tpsa: 112.73
Logp: 0.5726
H Acceptors: 5
H Donors: 3
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:
C₁₆H₂₁N₃O₄S
Molecular Weight:
351.42
Synonyms:
4',5'-Dihydrocefradine
SMILES:
CC1=C(C(O)=O)N(C([C@]2(NC([C@H](N)C3=CCCCC3)=O)[H])=O)[C@]2([H])SC1
Tpsa:
112.73
Logp:
0.5726
H Acceptors:
5
H Donors:
3
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: C₁₆H₂₃N₃O₄S
Molecular Weight: 353.44
Synonyms: None
SMILES: CC1=C(C(O)=O)N(C([C@]2(NC([C@H](N)C3CCCCC3)=O)[H])=O)[C@]2([H])SC1
Tpsa: 112.73
Logp: 0.6525
H Acceptors: 5
H Donors: 3
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:
C₁₆H₂₃N₃O₄S
Molecular Weight:
353.44
Synonyms:
None
SMILES:
CC1=C(C(O)=O)N(C([C@]2(NC([C@H](N)C3CCCCC3)=O)[H])=O)[C@]2([H])SC1
Tpsa:
112.73
Logp:
0.6525
H Acceptors:
5
H Donors:
3
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: C₂₄H₂₇N₅O₆S₂
Molecular Weight: 545.63
Synonyms: None
SMILES: CC1=C(C(N[C@]2([H])C(N3[C@]2([H])SCC(C)=C3C(O)=O)=O)=O)N(C([C@]4(NC([C@H](N)C5=CCC=CC5)=O)[H])=O)[C@]4([H])SC1
Tpsa: 162.14
Logp: 0.0225
H Acceptors: 8
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:
C₂₄H₂₇N₅O₆S₂
Molecular Weight:
545.63
Synonyms:
None
SMILES:
CC1=C(C(N[C@]2([H])C(N3[C@]2([H])SCC(C)=C3C(O)=O)=O)=O)N(C([C@]4(NC([C@H](N)C5=CCC=CC5)=O)[H])=O)[C@]4([H])SC1
Tpsa:
162.14
Logp:
0.0225
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
6