CS-0497520
(2S,5R,6R)-6-((R)-2-((R)-2-Amino-2-phenylacetamido)-2-((2R,4S)-4-carboxy-5,5-dimethylthiazolidin-2-yl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Ampicillin 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
C₂₄H₃₁N₅O₇S₂
Molecular Weight
565.66
Synonyms
None
SMILES
O=C([C@H](N)C1=CC=CC=C1)N[C@H](C(N[C@]([C@]2([H])N3[C@@H](C(O)=O)C(C)(C)S2)([H])C3=O)=O)[C@]4([H])N[C@@H](C(O)=O)C(C)(C)S4
Tpsa
191.16
Logp
-0.3028
H Acceptors
9
H Donors
6
Rotatable Bonds
8
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: C₂₄H₃₁N₅O₇S₂
Molecular Weight: 565.66
Synonyms: None
SMILES: O=C([C@H](N)C1=CC=CC=C1)N[C@H](C(N[C@]([C@]2([H])N3[C@@H](C(O)=O)C(C)(C)S2)([H])C3=O)=O)[C@]4([H])N[C@@H](C(O)=O)C(C)(C)S4
Tpsa: 191.16
Logp: -0.3028
H Acceptors: 9
H Donors: 6
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:
C₂₄H₃₁N₅O₇S₂
Molecular Weight:
565.66
Synonyms:
None
SMILES:
O=C([C@H](N)C1=CC=CC=C1)N[C@H](C(N[C@]([C@]2([H])N3[C@@H](C(O)=O)C(C)(C)S2)([H])C3=O)=O)[C@]4([H])N[C@@H](C(O)=O)C(C)(C)S4
Tpsa:
191.16
Logp:
-0.3028
H Acceptors:
9
H Donors:
6
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈Br₂O
Molecular Weight: 279.96
Synonyms: None
SMILES: COC1=CC(CBr)=CC=C1Br
Tpsa: 9.23
Logp: 3.3526
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈Br₂O
Molecular Weight:
279.96
Synonyms:
None
SMILES:
COC1=CC(CBr)=CC=C1Br
Tpsa:
9.23
Logp:
3.3526
H Acceptors:
1
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: C₂₂H₂₂N₆O₆S₂
Molecular Weight: 530.58
Synonyms: None
SMILES: O=C([O-])C(N(C(C1([H])NC(/C(C2=CSC(N)=N2)=N\OC)=O)=O)[C@]1([H])S(C3)=O)=C3C[N+]4=CC=CC5=C4CCC5
Tpsa: 170.99
Logp: -2.0284
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:
C₂₂H₂₂N₆O₆S₂
Molecular Weight:
530.58
Synonyms:
None
SMILES:
O=C([O-])C(N(C(C1([H])NC(/C(C2=CSC(N)=N2)=N\OC)=O)=O)[C@]1([H])S(C3)=O)=C3C[N+]4=CC=CC5=C4CCC5
Tpsa:
170.99
Logp:
-2.0284
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: C₁₆H₁₇N₉O₅S₃
Molecular Weight: 511.56
Synonyms: (2R,6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
SMILES: OC(C1C(CSC2=NN=NN2C)=CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(N)=N4)=N\OC)=O)=O)=O
Tpsa: 190.81
Logp: -0.8714
H Acceptors: 14
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:
C₁₆H₁₇N₉O₅S₃
Molecular Weight:
511.56
Synonyms:
(2R,6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
SMILES:
OC(C1C(CSC2=NN=NN2C)=CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(N)=N4)=N\OC)=O)=O)=O
Tpsa:
190.81
Logp:
-0.8714
H Acceptors:
14
H Donors:
3
Rotatable Bonds:
8