CS-0497807
(6R,7R)-7-((Z)-2-(2-((6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamido)thiazol-4-yl)-2-(methoxyimino)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cefetamet 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
C₂₈H₂₈N₁₀O₉S₄
Molecular Weight
776.84
Synonyms
None
SMILES
O=C(NC1=NC(/C(C(N[C@]2([H])C(N([C@]2([H])SC3)C(C(O)=O)=C3C)=O)=O)=N/OC)=CS1)C4=C(C)CS[C@@]5([H])N4C([C@@]5([H])NC(/C(C6=CSC(N)=N6)=N\OC)=O)=O
Tpsa
260.2
Logp
-0.0461
H Acceptors
17
H Donors
5
Rotatable Bonds
11
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: C₂₈H₂₈N₁₀O₉S₄
Molecular Weight: 776.84
Synonyms: None
SMILES: O=C(NC1=NC(/C(C(N[C@]2([H])C(N([C@]2([H])SC3)C(C(O)=O)=C3C)=O)=O)=N/OC)=CS1)C4=C(C)CS[C@@]5([H])N4C([C@@]5([H])NC(/C(C6=CSC(N)=N6)=N\OC)=O)=O
Tpsa: 260.2
Logp: -0.0461
H Acceptors: 17
H Donors: 5
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₈N₁₀O₉S₄
Molecular Weight:
776.84
Synonyms:
None
SMILES:
O=C(NC1=NC(/C(C(N[C@]2([H])C(N([C@]2([H])SC3)C(C(O)=O)=C3C)=O)=O)=N/OC)=CS1)C4=C(C)CS[C@@]5([H])N4C([C@@]5([H])NC(/C(C6=CSC(N)=N6)=N\OC)=O)=O
Tpsa:
260.2
Logp:
-0.0461
H Acceptors:
17
H Donors:
5
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₈N₂O₈S
Molecular Weight: 434.42
Synonyms: (6R-(6alpha,7beta(R*)))-3-(Acetoxymethyl)-7-((formyloxy)phenylacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
SMILES: OC(C1=C(COC(C)=O)CS[C@@]([C@@H]2NC([C@@H](C3=CC=CC=C3)OC=O)=O)([H])N1C2=O)=O
Tpsa: 139.31
Logp: 0.2024
H Acceptors: 8
H Donors: 2
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:
C₁₉H₁₈N₂O₈S
Molecular Weight:
434.42
Synonyms:
(6R-(6alpha,7beta(R*)))-3-(Acetoxymethyl)-7-((formyloxy)phenylacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
SMILES:
OC(C1=C(COC(C)=O)CS[C@@]([C@@H]2NC([C@@H](C3=CC=CC=C3)OC=O)=O)([H])N1C2=O)=O
Tpsa:
139.31
Logp:
0.2024
H Acceptors:
8
H Donors:
2
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: C₂₅H₂₉N₉O₇S₃
Molecular Weight: 663.75
Synonyms: None
SMILES: [O-]C(C1=C(C[N+]2(C)CCCC2)CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(NC(/C(C5=CSC(N)=N5)=N\OC)=O)=N4)=N\OC)=O)=O)=O
Tpsa: 213.62
Logp: -0.8342
H Acceptors: 15
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₉N₉O₇S₃
Molecular Weight:
663.75
Synonyms:
None
SMILES:
[O-]C(C1=C(C[N+]2(C)CCCC2)CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(NC(/C(C5=CSC(N)=N5)=N\OC)=O)=N4)=N\OC)=O)=O)=O
Tpsa:
213.62
Logp:
-0.8342
H Acceptors:
15
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₅N₅O₇S₂
Molecular Weight: 511.57
Synonyms: Delta-2-CefetaMet Pivoxil
SMILES: CC(C)(C)C(OCOC([C@@H]1N2[C@@](SC=C1C)([H])[C@@H](C2=O)NC(/C(C3=CSC(N)=N3)=N\OC)=O)=O)=O
Tpsa: 162.51
Logp: 0.8381
H Acceptors: 12
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:
C₂₀H₂₅N₅O₇S₂
Molecular Weight:
511.57
Synonyms:
Delta-2-CefetaMet Pivoxil
SMILES:
CC(C)(C)C(OCOC([C@@H]1N2[C@@](SC=C1C)([H])[C@@H](C2=O)NC(/C(C3=CSC(N)=N3)=N\OC)=O)=O)=O
Tpsa:
162.51
Logp:
0.8381
H Acceptors:
12
H Donors:
2
Rotatable Bonds:
7