CS-0498048
(6R,7S)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(hydroxyimino)acetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cefdinir Impurity
Manufacturer: ChemScene
CAS Number: 178601-89-3
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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
C₁₄H₁₃N₅O₅S₂
Molecular Weight
395.41
Synonyms
Cefdinir Impurity O（Cefdinir CP Impurity N）
SMILES
OC(C1=C(C=C)CS[C@@]2([H])N1C([C@]2([H])NC(/C(C3=CSC(N)=N3)=N\O)=O)=O)=O
Tpsa
158.21
Logp
-0.1718
H Acceptors
9
H Donors
4
Rotatable Bonds
5
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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: C₁₄H₁₃N₅O₅S₂
Molecular Weight: 395.41
Synonyms: Cefdinir Impurity O（Cefdinir CP Impurity N）
SMILES: OC(C1=C(C=C)CS[C@@]2([H])N1C([C@]2([H])NC(/C(C3=CSC(N)=N3)=N\O)=O)=O)=O
Tpsa: 158.21
Logp: -0.1718
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₃N₅O₅S₂
Molecular Weight:
395.41
Synonyms:
Cefdinir Impurity O（Cefdinir CP Impurity N）
SMILES:
OC(C1=C(C=C)CS[C@@]2([H])N1C([C@]2([H])NC(/C(C3=CSC(N)=N3)=N\O)=O)=O)=O
Tpsa:
158.21
Logp:
-0.1718
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₄N₄O₄S₂
Molecular Weight: 366.42
Synonyms: (6R-trans)-7-[[(2-Amino-4-thiazolyl)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en
SMILES: OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(CC3=CSC(N)=N3)=O)=O)=O
Tpsa: 125.62
Logp: 0.1924
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₄N₄O₄S₂
Molecular Weight:
366.42
Synonyms:
(6R-trans)-7-[[(2-Amino-4-thiazolyl)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en
SMILES:
OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(CC3=CSC(N)=N3)=O)=O)=O
Tpsa:
125.62
Logp:
0.1924
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₅N₅O₆S₂
Molecular Weight: 401.42
Synonyms: Ceftizoxime Sodium Impurity 29
SMILES: O=C(O)[C@@]([H])(NC(/C(C1=CSC(N)=N1)=N\OC)=O)[C@]2([H])NC(C(O)=O)=CCS2
Tpsa: 176.23
Logp: -0.7238
H Acceptors: 10
H Donors: 5
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:
C₁₃H₁₅N₅O₆S₂
Molecular Weight:
401.42
Synonyms:
Ceftizoxime Sodium Impurity 29
SMILES:
O=C(O)[C@@]([H])(NC(/C(C1=CSC(N)=N1)=N\OC)=O)[C@]2([H])NC(C(O)=O)=CCS2
Tpsa:
176.23
Logp:
-0.7238
H Acceptors:
10
H Donors:
5
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: C₁₇H₂₂N₂O₆S
Molecular Weight: 382.43
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(OC)=O)NC(COC2=CC=CC=C2)=O)N1
Tpsa: 113.96
Logp: 0.6175
H Acceptors: 7
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:
C₁₇H₂₂N₂O₆S
Molecular Weight:
382.43
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(OC)=O)NC(COC2=CC=CC=C2)=O)N1
Tpsa:
113.96
Logp:
0.6175
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
7