CS-0497672
(6R,7R)-3-(Acetoxymethyl)-7-((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)-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
C₂₆H₂₇N₇O₁₁S₃
Molecular Weight
709.73
Synonyms
None
SMILES
[H][C@@]1(NC(/C(C2=CSC(N)=N2)=N\OC)=O)C(N3[C@]1([H])SCC(COC(C)=O)=C3C(N[C@]4([H])C(N5[C@]4([H])SCC(COC(C)=O)=C5C(O)=O)=O)=O)=O
Tpsa
249.22
Logp
-1.4054
H Acceptors
16
H Donors
4
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: C₂₆H₂₇N₇O₁₁S₃
Molecular Weight: 709.73
Synonyms: None
SMILES: [H][C@@]1(NC(/C(C2=CSC(N)=N2)=N\OC)=O)C(N3[C@]1([H])SCC(COC(C)=O)=C3C(N[C@]4([H])C(N5[C@]4([H])SCC(COC(C)=O)=C5C(O)=O)=O)=O)=O
Tpsa: 249.22
Logp: -1.4054
H Acceptors: 16
H Donors: 4
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:
C₂₆H₂₇N₇O₁₁S₃
Molecular Weight:
709.73
Synonyms:
None
SMILES:
[H][C@@]1(NC(/C(C2=CSC(N)=N2)=N\OC)=O)C(N3[C@]1([H])SCC(COC(C)=O)=C3C(N[C@]4([H])C(N5[C@]4([H])SCC(COC(C)=O)=C5C(O)=O)=O)=O)=O
Tpsa:
249.22
Logp:
-1.4054
H Acceptors:
16
H Donors:
4
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: C₁₈H₂₁N₅O₈S₂
Molecular Weight: 499.52
Synonyms: None
SMILES: [H][C@@]1(C(C(O)=O)NC(/C(C2=CSC(N)=N2)=N\OCC(OCC)=O)=O)NC3=C(C(C)OC3=O)CS1
Tpsa: 191.53
Logp: -0.5596
H Acceptors: 13
H Donors: 4
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₁N₅O₈S₂
Molecular Weight:
499.52
Synonyms:
None
SMILES:
[H][C@@]1(C(C(O)=O)NC(/C(C2=CSC(N)=N2)=N\OCC(OCC)=O)=O)NC3=C(C(C)OC3=O)CS1
Tpsa:
191.53
Logp:
-0.5596
H Acceptors:
13
H Donors:
4
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₀O₃S
Molecular Weight: 198.24
Synonyms: 2-Thiophenecarboxylic acid, 5-acetyl-, ethyl ester
SMILES: O=C(C1=CC=C(C(C)=O)S1)OCC
Tpsa: 43.37
Logp: 2.1274
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₀O₃S
Molecular Weight:
198.24
Synonyms:
2-Thiophenecarboxylic acid, 5-acetyl-, ethyl ester
SMILES:
O=C(C1=CC=C(C(C)=O)S1)OCC
Tpsa:
43.37
Logp:
2.1274
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₃N₇O₉S₃
Molecular Weight: 649.68
Synonyms: None
SMILES: [H][C@@]1(NC(/C(C2=CSC(N)=N2)=N\OC)=O)C(N3[C@]1([H])SCC(COC(C)=O)=C3C(N[C@]4([H])C(N5[C@]4([H])SCC(CO6)=C5C6=O)=O)=O)=O
Tpsa: 211.92
Logp: -1.4963
H Acceptors: 15
H Donors: 3
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:
C₂₄H₂₃N₇O₉S₃
Molecular Weight:
649.68
Synonyms:
None
SMILES:
[H][C@@]1(NC(/C(C2=CSC(N)=N2)=N\OC)=O)C(N3[C@]1([H])SCC(COC(C)=O)=C3C(N[C@]4([H])C(N5[C@]4([H])SCC(CO6)=C5C6=O)=O)=O)=O
Tpsa:
211.92
Logp:
-1.4963
H Acceptors:
15
H Donors:
3
Rotatable Bonds:
8