CS-0533257
(6R,7R)-1-((Isopropoxycarbonyl)oxy)ethyl 7-((Z)-2-(2-((2R)-2-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-2-((2R)-4-((1-((isopropoxycarbonyl)oxy)ethoxy)carbonyl)-5-(methoxymethyl)-3,6-dihydro-2H-1,3-thiazin-2-yl)acetamido)thiazol-4-yl)-2-(methoxyimino)acetamido)-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Cefpodoxime Proxetil Impurity
Manufacturer: ChemScene
CAS Number: 947692-16-2
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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
C₄₂H₅₄N₁₀O₁₈S₄
Molecular Weight
1115.19
Synonyms
Cefpodoxime Proxetil 4,7-seco-Dimer
SMILES
CC(C)OC(OC(C)OC(C1=C(COC)CS[C@@]([C@@H]2NC(/C(C3=CSC(NC([C@H]([C@]4([H])NC(C(OC(C)OC(OC(C)C)=O)=O)=C(CS4)COC)NC(/C(C5=CSC(N)=N5)=N\OC)=O)=O)=N3)=N\OC)=O)([H])N1C2=O)=O)=O
Tpsa
356.74
Logp
1.7713
H Acceptors
28
H Donors
5
Rotatable Bonds
23
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: C₄₂H₅₄N₁₀O₁₈S₄
Molecular Weight: 1115.19
Synonyms: Cefpodoxime Proxetil 4,7-seco-Dimer
SMILES: CC(C)OC(OC(C)OC(C1=C(COC)CS[C@@]([C@@H]2NC(/C(C3=CSC(NC([C@H]([C@]4([H])NC(C(OC(C)OC(OC(C)C)=O)=O)=C(CS4)COC)NC(/C(C5=CSC(N)=N5)=N\OC)=O)=O)=N3)=N\OC)=O)([H])N1C2=O)=O)=O
Tpsa: 356.74
Logp: 1.7713
H Acceptors: 28
H Donors: 5
Rotatable Bonds: 23
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₂H₅₄N₁₀O₁₈S₄
Molecular Weight:
1115.19
Synonyms:
Cefpodoxime Proxetil 4,7-seco-Dimer
SMILES:
CC(C)OC(OC(C)OC(C1=C(COC)CS[C@@]([C@@H]2NC(/C(C3=CSC(NC([C@H]([C@]4([H])NC(C(OC(C)OC(OC(C)C)=O)=O)=C(CS4)COC)NC(/C(C5=CSC(N)=N5)=N\OC)=O)=O)=N3)=N\OC)=O)([H])N1C2=O)=O)=O
Tpsa:
356.74
Logp:
1.7713
H Acceptors:
28
H Donors:
5
Rotatable Bonds:
23
Purity: 98%
MDL No: MFCD02113255
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₁₈O₂S
Molecular Weight: 334.43
Synonyms: Dinaphthalen-2-yloxymethanethione
SMILES: S=C(OC1=C\C/C=C\C=C/C\C=C/1)OC2=CC3=C(C=CC=C3)C=C2
Tpsa: 18.46
Logp: 5.8664
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD02113255
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₁₈O₂S
Molecular Weight:
334.43
Synonyms:
Dinaphthalen-2-yloxymethanethione
SMILES:
S=C(OC1=C\C/C=C\C=C/C\C=C/1)OC2=CC3=C(C=CC=C3)C=C2
Tpsa:
18.46
Logp:
5.8664
H Acceptors:
3
H Donors:
0
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: C₆H₅NO₃S₂
Molecular Weight: 203.24
Synonyms: Thieno[2,3-d]isothiazol-3(2H)-one, 2-methyl-, 1,1-dioxide
SMILES: O=C1C2=C(S(=O)(N1C)=O)C=CS2
Tpsa: 54.45
Logp: 0.5224
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₅NO₃S₂
Molecular Weight:
203.24
Synonyms:
Thieno[2,3-d]isothiazol-3(2H)-one, 2-methyl-, 1,1-dioxide
SMILES:
O=C1C2=C(S(=O)(N1C)=O)C=CS2
Tpsa:
54.45
Logp:
0.5224
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₈N₈NaO₇S₃
Molecular Weight: 577.57
Synonyms: None
SMILES: OC(C1=C(CSC(N(NC2=O)C)=NC2=O)CS[C@@]([C@@H]3NC(/C(C4=CSC(N)=N4)=N/OC)=O)([H])N1C3=O)=O.[Na]
Tpsa: 214.96
Logp: -2.2598
H Acceptors: 14
H Donors: 4
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:
C₁₈H₁₈N₈NaO₇S₃
Molecular Weight:
577.57
Synonyms:
None
SMILES:
OC(C1=C(CSC(N(NC2=O)C)=NC2=O)CS[C@@]([C@@H]3NC(/C(C4=CSC(N)=N4)=N/OC)=O)([H])N1C3=O)=O.[Na]
Tpsa:
214.96
Logp:
-2.2598
H Acceptors:
14
H Donors:
4
Rotatable Bonds:
8