CS-0498063
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide Penicillin 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
C₁₆H₁₈N₂O₆S
Molecular Weight
366.39
Synonyms
None
SMILES
O=C(O)[C@H]1C(C)(C)S([C@](N21)([H])[C@@](NC(COC3=CC=CC=C3)=O)([H])C2=O)=O
Tpsa
113.01
Logp
-0.2874
H Acceptors
5
H Donors
2
Rotatable Bonds
5
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: C₁₆H₁₈N₂O₆S
Molecular Weight: 366.39
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)S([C@](N21)([H])[C@@](NC(COC3=CC=CC=C3)=O)([H])C2=O)=O
Tpsa: 113.01
Logp: -0.2874
H Acceptors: 5
H Donors: 2
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:
C₁₆H₁₈N₂O₆S
Molecular Weight:
366.39
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)S([C@](N21)([H])[C@@](NC(COC3=CC=CC=C3)=O)([H])C2=O)=O
Tpsa:
113.01
Logp:
-0.2874
H Acceptors:
5
H Donors:
2
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: C₁₅H₁₄N₂O₄S
Molecular Weight: 318.35
Synonyms: None
SMILES: OC(C1=CCS[C@@]([C@@H]2NC(CC3=CC=CC=C3)=O)([H])N1C2=O)=O
Tpsa: 86.71
Logp: 0.5975
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₄N₂O₄S
Molecular Weight:
318.35
Synonyms:
None
SMILES:
OC(C1=CCS[C@@]([C@@H]2NC(CC3=CC=CC=C3)=O)([H])N1C2=O)=O
Tpsa:
86.71
Logp:
0.5975
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₈N₄O₄S
Molecular Weight: 244.23
Synonyms: Thiazolylacetylglycine Oxime
SMILES: O=C(/C(C1=CSC(N)=N1)=N\O)NCC(O)=O
Tpsa: 137.9
Logp: -0.8956
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₈N₄O₄S
Molecular Weight:
244.23
Synonyms:
Thiazolylacetylglycine Oxime
SMILES:
O=C(/C(C1=CSC(N)=N1)=N\O)NCC(O)=O
Tpsa:
137.9
Logp:
-0.8956
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₅N₅O₆S₂
Molecular Weight: 437.45
Synonyms: None
SMILES: OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(/C(C3=CSC(NC(C)=O)=N3)=N\O)=O)=O)=O
Tpsa: 161.29
Logp: 0.2044
H Acceptors: 9
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:
C₁₆H₁₅N₅O₆S₂
Molecular Weight:
437.45
Synonyms:
None
SMILES:
OC(C1=C(C=C)CS[C@@]2([H])N1C([C@@]2([H])NC(/C(C3=CSC(NC(C)=O)=N3)=N\O)=O)=O)=O
Tpsa:
161.29
Logp:
0.2044
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
6