CS-0497505
(2R,4S)-2-(1-((R)-2-Amino-2-phenylacetamido)-2-(((R)-2-((((2R,4S)-4-carboxy-5,5-dimethylthiazolidin-2-yl)methyl)amino)-2-oxo-1-phenylethyl)amino)-2-oxoethyl)-5,5-dimethylthiazolidine-4-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
C₃₁H₄₀N₆O₇S₂
Molecular Weight
672.82
Synonyms
None
SMILES
O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(N[C@H](C2=CC=CC=C2)C(NC[C@]3([H])N[C@@H](C(O)=O)C(C)(C)S3)=O)=O)NC([C@H](N)C4=CC=CC=C4)=O)N1
Tpsa
211.98
Logp
0.9335
H Acceptors
10
H Donors
8
Rotatable Bonds
12
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: C₃₁H₄₀N₆O₇S₂
Molecular Weight: 672.82
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(N[C@H](C2=CC=CC=C2)C(NC[C@]3([H])N[C@@H](C(O)=O)C(C)(C)S3)=O)=O)NC([C@H](N)C4=CC=CC=C4)=O)N1
Tpsa: 211.98
Logp: 0.9335
H Acceptors: 10
H Donors: 8
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₄₀N₆O₇S₂
Molecular Weight:
672.82
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(N[C@H](C2=CC=CC=C2)C(NC[C@]3([H])N[C@@H](C(O)=O)C(C)(C)S3)=O)=O)NC([C@H](N)C4=CC=CC=C4)=O)N1
Tpsa:
211.98
Logp:
0.9335
H Acceptors:
10
H Donors:
8
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₃N₃O₁₀S
Molecular Weight: 509.49
Synonyms: None
SMILES: [H][C@@]1(NC(/C(C2=CC=CO2)=N\OC)=O)C(N3[C@]1([H])SCC(COC(C)=O)=C3C(OC(OC(C)=O)C)=O)=O
Tpsa: 163.04
Logp: 0.2995
H Acceptors: 12
H Donors: 1
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:
C₂₁H₂₃N₃O₁₀S
Molecular Weight:
509.49
Synonyms:
None
SMILES:
[H][C@@]1(NC(/C(C2=CC=CO2)=N\OC)=O)C(N3[C@]1([H])SCC(COC(C)=O)=C3C(OC(OC(C)=O)C)=O)=O
Tpsa:
163.04
Logp:
0.2995
H Acceptors:
12
H Donors:
1
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: C₁₆H₂₂N₄O₄S
Molecular Weight: 366.44
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(N)=O)NC([C@H](N)C2=CC=CC=C2)=O)N1
Tpsa: 147.54
Logp: -0.4492
H Acceptors: 6
H Donors: 5
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂N₄O₄S
Molecular Weight:
366.44
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(N)=O)NC([C@H](N)C2=CC=CC=C2)=O)N1
Tpsa:
147.54
Logp:
-0.4492
H Acceptors:
6
H Donors:
5
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₂N₆O₅S₂
Molecular Weight: 514.58
Synonyms: Cefpirome Impurity 3
SMILES: O=C([O-])C(N(C([C@]1([H])NC(/C(C2=CSC(N)=N2)=N\OC)=O)=O)[C@]1([H])SC3)=C3C[N+]4=CC=CC5=C4CCC5
Tpsa: 153.92
Logp: -1.0439
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:
C₂₂H₂₂N₆O₅S₂
Molecular Weight:
514.58
Synonyms:
Cefpirome Impurity 3
SMILES:
O=C([O-])C(N(C([C@]1([H])NC(/C(C2=CSC(N)=N2)=N\OC)=O)=O)[C@]1([H])SC3)=C3C[N+]4=CC=CC5=C4CCC5
Tpsa:
153.92
Logp:
-1.0439
H Acceptors:
10
H Donors:
2
Rotatable Bonds:
7