CS-0497864
((6R,7S)-2-Carbamoyl-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl carbamate Cefoxitin 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
C₁₆H₁₈N₄O₆S₂
Molecular Weight
426.47
Synonyms
None
SMILES
NC(C1=C(COC(N)=O)CS[C@@]2([H])N1C([C@@]2(OC)NC(CC3=CC=CS3)=O)=O)=O
Tpsa
154.05
Logp
-0.5007
H Acceptors
8
H Donors
3
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: C₁₆H₁₈N₄O₆S₂
Molecular Weight: 426.47
Synonyms: None
SMILES: NC(C1=C(COC(N)=O)CS[C@@]2([H])N1C([C@@]2(OC)NC(CC3=CC=CS3)=O)=O)=O
Tpsa: 154.05
Logp: -0.5007
H Acceptors: 8
H Donors: 3
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:
C₁₆H₁₈N₄O₆S₂
Molecular Weight:
426.47
Synonyms:
None
SMILES:
NC(C1=C(COC(N)=O)CS[C@@]2([H])N1C([C@@]2(OC)NC(CC3=CC=CS3)=O)=O)=O
Tpsa:
154.05
Logp:
-0.5007
H Acceptors:
8
H Donors:
3
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: C₁₉H₂₄N₆O₅S₂
Molecular Weight: 480.56
Synonyms: (6R,7S)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((1-methylpyrrolidin-1-ium-1-yl)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILES: [O-]C(C1=C(C[N+]2(C)CCCC2)CS[C@@]3([H])N1C([C@@]3(NC(/C(C4=CSC(N)=N4)=N\OC)=O)[H])=O)=O
Tpsa: 150.04
Logp: -1.2799
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:
C₁₉H₂₄N₆O₅S₂
Molecular Weight:
480.56
Synonyms:
(6R,7S)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((1-methylpyrrolidin-1-ium-1-yl)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILES:
[O-]C(C1=C(C[N+]2(C)CCCC2)CS[C@@]3([H])N1C([C@@]3(NC(/C(C4=CSC(N)=N4)=N\OC)=O)[H])=O)=O
Tpsa:
150.04
Logp:
-1.2799
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: C₁₇H₁₉N₃O₇S₂
Molecular Weight: 441.48
Synonyms: None
SMILES: [H][C@@]12N(C([C@@]2(OC)NC(CC3=CC=CS3)=O)=O)C(C(OC)=O)C(COC(N)=O)=CS1
Tpsa: 137.26
Logp: 0.1854
H Acceptors: 9
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:
C₁₇H₁₉N₃O₇S₂
Molecular Weight:
441.48
Synonyms:
None
SMILES:
[H][C@@]12N(C([C@@]2(OC)NC(CC3=CC=CS3)=O)=O)C(C(OC)=O)C(COC(N)=O)=CS1
Tpsa:
137.26
Logp:
0.1854
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁NO₃
Molecular Weight: 181.19
Synonyms: o-Veratraldehyde, oxime
SMILES: COC1=C(OC)C(/C=N/O)=CC=C1
Tpsa: 51.05
Logp: 1.5119
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁NO₃
Molecular Weight:
181.19
Synonyms:
o-Veratraldehyde, oxime
SMILES:
COC1=C(OC)C(/C=N/O)=CC=C1
Tpsa:
51.05
Logp:
1.5119
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3