CS-0497591

(6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-((2-ethoxy-2-oxoethoxy)imino)acetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (Cefixime Impurity)

Manufacturer: ChemScene

CAS Number: 79368-95-9

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Purity

97%

MDL No

MFCD31560078

Storage

Sealed in dry,2-8℃

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₁₈H₁₉N₅O₇S₂

Molecular Weight

481.50

Synonyms

(6R,7R)-7-({(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-[(2-ethoxy-2-oxoethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES

OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(/C(C3=CSC(N)=N3)=N\OCC(OCC)=O)=O)=O)=O

Tpsa

N/A

Logp

N/A

H Acceptors

N/A

H Donors

N/A

Rotatable Bonds

N/A

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SAFETY INFORMATION

Pictograms

N/A

Signal Word

N/A

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

N/A

Precautionary Statements

N/A

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ChemScene

CS-0497591

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Purity:
97%

MDL No:
MFCD31560078

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₈H₁₉N₅O₇S₂

Molecular Weight:
481.50

Synonyms:
(6R,7R)-7-({(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-[(2-ethoxy-2-oxoethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES:
OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(/C(C3=CSC(N)=N3)=N\OCC(OCC)=O)=O)=O)=O

Tpsa:
N/A

Logp:
N/A

H Acceptors:
N/A

H Donors:
N/A

Rotatable Bonds:
N/A

Img

ChemScene

CS-0497593

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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:
C₅H₁₁O₄P

Molecular Weight:
166.11

Synonyms:
Phosphonic acid, [(2R,3S)-3-methyloxiranyl]-, monoethyl ester, rel- (9CI)

SMILES:
C[C@@H]1O[C@@H]1[P@](O)(OCC)=O

Tpsa:
59.06

Logp:
0.9531

H Acceptors:
3

H Donors:
1

Rotatable Bonds:
3

Img

ChemScene

CS-0497595

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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:
C₃₂H₃₁N₁₃O₁₂S₅

Molecular Weight:
949.99

Synonyms:
None

SMILES:
O=C(C1=O)N=C(SCC2=C(C(O)=O)N(C([C@@]3([H])NC(/C(C4=CSC(NCC5=C(C(O)=O)N(C([C@@]6([H])NC(/C(C7=CSC(N)=N7)=N\OC)=O)=O)[C@]6([H])SC5)=N4)=N\OC)=O)=O)[C@]3([H])SC2)N(N1)C

Tpsa:
348.18

Logp:
-1.9536

H Acceptors:
23

H Donors:
7

Rotatable Bonds:
16

Img

ChemScene

CS-0497597

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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:
C₅H₁₃O₅P

Molecular Weight:
184.13

Synonyms:
None

SMILES:
OC(C)C(O)P(OCC)(O)=O

Tpsa:
86.99

Logp:
-0.0925

H Acceptors:
4

H Donors:
3

Rotatable Bonds:
4