CS-0497514
(2S,5R,6R)-6-((2S,5R,6R)-6-((R)-2-Amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamido)-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
C₂₄H₂₉N₅O₆S₂
Molecular Weight
547.65
Synonyms
None
SMILES
O=C1[C@](NC([C@@](N)([H])C2=CC=CC=C2)=O)([H])[C@]3([H])N1[C@](C(N[C@]([C@]4([H])N5[C@@]([H])(C(O)=O)C(C)(C)S4)([H])C5=O)=O)([H])C(C)(C)S3
Tpsa
162.14
Logp
-0.1348
H Acceptors
8
H Donors
4
Rotatable Bonds
6
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: C₂₄H₂₉N₅O₆S₂
Molecular Weight: 547.65
Synonyms: None
SMILES: O=C1[C@](NC([C@@](N)([H])C2=CC=CC=C2)=O)([H])[C@]3([H])N1[C@](C(N[C@]([C@]4([H])N5[C@@]([H])(C(O)=O)C(C)(C)S4)([H])C5=O)=O)([H])C(C)(C)S3
Tpsa: 162.14
Logp: -0.1348
H Acceptors: 8
H Donors: 4
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:
C₂₄H₂₉N₅O₆S₂
Molecular Weight:
547.65
Synonyms:
None
SMILES:
O=C1[C@](NC([C@@](N)([H])C2=CC=CC=C2)=O)([H])[C@]3([H])N1[C@](C(N[C@]([C@]4([H])N5[C@@]([H])(C(O)=O)C(C)(C)S4)([H])C5=O)=O)([H])C(C)(C)S3
Tpsa:
162.14
Logp:
-0.1348
H Acceptors:
8
H Donors:
4
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: None
SMILES: O=C([O-])C1N(C([C@@]2([H])NC(/C(C3=CSC(N)=N3)=N\OC)=O)=O)[C@]2([H])SC=C1C[N+]4=CC=CC5=C4CCC5
Tpsa: 153.92
Logp: -1.0455
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:
None
SMILES:
O=C([O-])C1N(C([C@@]2([H])NC(/C(C3=CSC(N)=N3)=N\OC)=O)=O)[C@]2([H])SC=C1C[N+]4=CC=CC5=C4CCC5
Tpsa:
153.92
Logp:
-1.0455
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: C₃₂H₃₆N₆O₇S₂
Molecular Weight: 680.79
Synonyms: None
SMILES: O=C(N[C@H](C1=CC=CC=C1)C(N[C@]([C@]2([H])N3[C@@H](C(O)=O)C(C)(C)S2)([H])C3=O)=O)[C@H]4C(C)(C)S[C@](N54)([H])[C@@](NC([C@H](N)C6=CC=CC=C6)=O)([H])C5=O
Tpsa: 191.24
Logp: 0.7227
H Acceptors: 9
H Donors: 5
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:
C₃₂H₃₆N₆O₇S₂
Molecular Weight:
680.79
Synonyms:
None
SMILES:
O=C(N[C@H](C1=CC=CC=C1)C(N[C@]([C@]2([H])N3[C@@H](C(O)=O)C(C)(C)S2)([H])C3=O)=O)[C@H]4C(C)(C)S[C@](N54)([H])[C@@](NC([C@H](N)C6=CC=CC=C6)=O)([H])C5=O
Tpsa:
191.24
Logp:
0.7227
H Acceptors:
9
H Donors:
5
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: 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