CS-0497808
(6R,7R)-3-(Acetoxymethyl)-7-((R)-2-(formyloxy)-2-phenylacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cefmandole Sodium Impurity
Manufacturer: ChemScene
CAS Number: 87932-78-3
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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
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
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 87932-78-3 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(formyloxy)phenylacetyl]amino]-8-oxo-, [6R-[6α,7β(R*)]]- | 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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₂₈ClN₅O₇S₂
Molecular Weight: 634.12
Synonyms: None
SMILES: O=C(N[C@]([C@]1([H])N2[C@@]([H])(C(O)=O)C(C)(C)S1)([H])C2=O)[C@@]3([H])C(C)(C)S[C@](N43)([H])[C@@](NC(C5=C(C)ON=C5C6=CC=CC=C6Cl)=O)([H])C4=O
Tpsa: 162.15
Logp: 2.09582
H Acceptors: 9
H Donors: 3
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:
C₂₇H₂₈ClN₅O₇S₂
Molecular Weight:
634.12
Synonyms:
None
SMILES:
O=C(N[C@]([C@]1([H])N2[C@@]([H])(C(O)=O)C(C)(C)S1)([H])C2=O)[C@@]3([H])C(C)(C)S[C@](N43)([H])[C@@](NC(C5=C(C)ON=C5C6=CC=CC=C6Cl)=O)([H])C4=O
Tpsa:
162.15
Logp:
2.09582
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
6