CS-0498129
(2S,5R,6R)-6-((2R)-2-(2-((2R,4S)-4-Carboxy-5,5-dimethylthiazolidin-2-yl)-2-((R)-2-(2-oxoimidazolidine-1-carboxamido)-2-phenylacetamido)acetamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Azlocillin 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
C₃₆H₄₂N₈O₁₀S₂
Molecular Weight
810.90
Synonyms
None
SMILES
O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(N[C@H](C2=CC=CC=C2)C(N[C@]([C@]3([H])N4[C@@H](C(O)=O)C(C)(C)S3)([H])C4=O)=O)=O)NC([C@H](NC(N5CCNC5=O)=O)C6=CC=CC=C6)=O)N1
Tpsa
255.68
Logp
0.3308
H Acceptors
11
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: C₃₆H₄₂N₈O₁₀S₂
Molecular Weight: 810.90
Synonyms: None
SMILES: O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(N[C@H](C2=CC=CC=C2)C(N[C@]([C@]3([H])N4[C@@H](C(O)=O)C(C)(C)S3)([H])C4=O)=O)=O)NC([C@H](NC(N5CCNC5=O)=O)C6=CC=CC=C6)=O)N1
Tpsa: 255.68
Logp: 0.3308
H Acceptors: 11
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:
C₃₆H₄₂N₈O₁₀S₂
Molecular Weight:
810.90
Synonyms:
None
SMILES:
O=C(O)[C@H]1C(C)(C)S[C@]([H])(C(C(N[C@H](C2=CC=CC=C2)C(N[C@]([C@]3([H])N4[C@@H](C(O)=O)C(C)(C)S3)([H])C4=O)=O)=O)NC([C@H](NC(N5CCNC5=O)=O)C6=CC=CC=C6)=O)N1
Tpsa:
255.68
Logp:
0.3308
H Acceptors:
11
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: C₃₆H₄₀N₈O₁₀S₂
Molecular Weight: 808.88
Synonyms: None
SMILES: O=C(ON[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@@]4([H])C(C)(C)S[C@](N54)([H])[C@@](NC([C@H](NC(N6C(NCC6)=O)=O)C7=CC=CC=C7)=O)([H])C5=O
Tpsa: 235.89
Logp: 0.4304
H Acceptors: 12
H Donors: 6
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₄₀N₈O₁₀S₂
Molecular Weight:
808.88
Synonyms:
None
SMILES:
O=C(ON[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@@]4([H])C(C)(C)S[C@](N54)([H])[C@@](NC([C@H](NC(N6C(NCC6)=O)=O)C7=CC=CC=C7)=O)([H])C5=O
Tpsa:
235.89
Logp:
0.4304
H Acceptors:
12
H Donors:
6
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₃₃N₇O₈S₂
Molecular Weight: 659.73
Synonyms: None
SMILES: O=C(N[C@]([C@]1([H])N2[C@@H](C(O)=O)C(C)(C)S1)([H])C2=O)[C@@]3([H])C(C)(C)S[C@](N43)([H])[C@@](NC(C(NC(N5C(NCC5)=O)=O)([H])C6=CC=CC=C6)=O)([H])C4=O
Tpsa: 197.56
Logp: -0.3587
H Acceptors: 9
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:
C₂₈H₃₃N₇O₈S₂
Molecular Weight:
659.73
Synonyms:
None
SMILES:
O=C(N[C@]([C@]1([H])N2[C@@H](C(O)=O)C(C)(C)S1)([H])C2=O)[C@@]3([H])C(C)(C)S[C@](N43)([H])[C@@](NC(C(NC(N5C(NCC5)=O)=O)([H])C6=CC=CC=C6)=O)([H])C4=O
Tpsa:
197.56
Logp:
-0.3587
H Acceptors:
9
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: C₁₆H₁₉N₃O₄S
Molecular Weight: 349.40
Synonyms: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, L- (8CI)
SMILES: O=C(O)[C@H](N1C2=O)C(C)(S[C@@]1([C@@H]2NC(C(C3=CC=CC=C3)N)=O)[H])C
Tpsa: 112.73
Logp: 0.3181
H Acceptors: 5
H Donors: 3
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:
C₁₆H₁₉N₃O₄S
Molecular Weight:
349.40
Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, L- (8CI)
SMILES:
O=C(O)[C@H](N1C2=O)C(C)(S[C@@]1([C@@H]2NC(C(C3=CC=CC=C3)N)=O)[H])C
Tpsa:
112.73
Logp:
0.3181
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
4