CS-0497500
(6R,6'R,7R,7'R,Z)-Oxybis(ethane-1,1-diyl) bis(3-((carbamoyloxy)methyl)-7-((Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate) Cefuroxime sodium Impurity
Manufacturer: ChemScene
CAS Number: 1202925-10-7
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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
C₃₆H₃₈N₈O₁₇S₂
Molecular Weight
918.86
Synonyms
Di(cefuroxime Ethyl) Ether
SMILES
[H][C@@]1(NC(/C(C2=CC=CO2)=N\OC)=O)C(N3[C@]1([H])SCC(COC(N)=O)=C3C(OC(OC(OC(C4=C(COC(N)=O)CS[C@@]5([H])N4C([C@@]5([H])NC(/C(C6=CC=CO6)=N\OC)=O)=O)=O)C)C)=O)=O
Tpsa
334.75
Logp
-0.4326
H Acceptors
21
H Donors
4
Rotatable Bonds
18
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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: C₃₆H₃₈N₈O₁₇S₂
Molecular Weight: 918.86
Synonyms: Di(cefuroxime Ethyl) Ether
SMILES: [H][C@@]1(NC(/C(C2=CC=CO2)=N\OC)=O)C(N3[C@]1([H])SCC(COC(N)=O)=C3C(OC(OC(OC(C4=C(COC(N)=O)CS[C@@]5([H])N4C([C@@]5([H])NC(/C(C6=CC=CO6)=N\OC)=O)=O)=O)C)C)=O)=O
Tpsa: 334.75
Logp: -0.4326
H Acceptors: 21
H Donors: 4
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₃₈N₈O₁₇S₂
Molecular Weight:
918.86
Synonyms:
Di(cefuroxime Ethyl) Ether
SMILES:
[H][C@@]1(NC(/C(C2=CC=CO2)=N\OC)=O)C(N3[C@]1([H])SCC(COC(N)=O)=C3C(OC(OC(OC(C4=C(COC(N)=O)CS[C@@]5([H])N4C([C@@]5([H])NC(/C(C6=CC=CO6)=N\OC)=O)=O)=O)C)C)=O)=O
Tpsa:
334.75
Logp:
-0.4326
H Acceptors:
21
H Donors:
4
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₀N₄O₃S
Molecular Weight: 348.42
Synonyms: None
SMILES: O=C(N)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC([C@H](N)C3=CC=CC=C3)=O)([H])C2=O
Tpsa: 118.52
Logp: -0.2812
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:
C₁₆H₂₀N₄O₃S
Molecular Weight:
348.42
Synonyms:
None
SMILES:
O=C(N)[C@H]1C(C)(C)S[C@](N21)([H])[C@@](NC([C@H](N)C3=CC=CC=C3)=O)([H])C2=O
Tpsa:
118.52
Logp:
-0.2812
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: C₁₉H₂₁N₃O₈S
Molecular Weight: 451.45
Synonyms: None
SMILES: CC1=C(C(OC(OC(C)=O)C)=O)N(C([C@@]2([H])NC(/C(C3=CC=CO3)=N\OC)=O)=O)[C@]2([H])SC1
Tpsa: 136.74
Logp: 0.7563
H Acceptors: 10
H Donors: 1
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:
C₁₉H₂₁N₃O₈S
Molecular Weight:
451.45
Synonyms:
None
SMILES:
CC1=C(C(OC(OC(C)=O)C)=O)N(C([C@@]2([H])NC(/C(C3=CC=CO3)=N\OC)=O)=O)[C@]2([H])SC1
Tpsa:
136.74
Logp:
0.7563
H Acceptors:
10
H Donors:
1
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: C₁₁H₁₈NO₄P
Molecular Weight: 259.24
Synonyms: None
SMILES: C[C@H](N)C1=CC=CC=C1.C[C@H]2O[C@H]2P(O)(O)=O
Tpsa: 96.08
Logp: 1.6152
H Acceptors: 3
H Donors: 3
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:
C₁₁H₁₈NO₄P
Molecular Weight:
259.24
Synonyms:
None
SMILES:
C[C@H](N)C1=CC=CC=C1.C[C@H]2O[C@H]2P(O)(O)=O
Tpsa:
96.08
Logp:
1.6152
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
2