CS-0497780
(R)-2-((6R,7R)-7-((R)-2-Amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamido)-2-phenylacetic acid Cefalexin 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
C₂₄H₂₄N₄O₅S
Molecular Weight
480.54
Synonyms
None
SMILES
CC1=C(C(N[C@H](C2=CC=CC=C2)C(O)=O)=O)N(C([C@@]3([H])NC([C@H](N)C4=CC=CC=C4)=O)=O)[C@]3([H])SC1
Tpsa
141.83
Logp
1.3024
H Acceptors
6
H Donors
4
Rotatable Bonds
7
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: C₂₄H₂₄N₄O₅S
Molecular Weight: 480.54
Synonyms: None
SMILES: CC1=C(C(N[C@H](C2=CC=CC=C2)C(O)=O)=O)N(C([C@@]3([H])NC([C@H](N)C4=CC=CC=C4)=O)=O)[C@]3([H])SC1
Tpsa: 141.83
Logp: 1.3024
H Acceptors: 6
H Donors: 4
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:
C₂₄H₂₄N₄O₅S
Molecular Weight:
480.54
Synonyms:
None
SMILES:
CC1=C(C(N[C@H](C2=CC=CC=C2)C(O)=O)=O)N(C([C@@]3([H])NC([C@H](N)C4=CC=CC=C4)=O)=O)[C@]3([H])SC1
Tpsa:
141.83
Logp:
1.3024
H Acceptors:
6
H Donors:
4
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: C₁₆H₁₇N₃O₄S
Molecular Weight: 347.39
Synonyms: 2-(3,6-Dioxo-5-phenylpiperazin-2-yl)-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
SMILES: O=C(C(C1=CC=CC=C1)N2)NC(C3NC(C(O)=O)=C(C)CS3)C2=O
Tpsa: 107.53
Logp: 0.3634
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₇N₃O₄S
Molecular Weight:
347.39
Synonyms:
2-(3,6-Dioxo-5-phenylpiperazin-2-yl)-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
SMILES:
O=C(C(C1=CC=CC=C1)N2)NC(C3NC(C(O)=O)=C(C)CS3)C2=O
Tpsa:
107.53
Logp:
0.3634
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀Cl₂N₂O₅S
Molecular Weight: 341.17
Synonyms: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(dichloroacetyl)amino]-3-(hydroxymethyl)-8-oxo-, (6R-trans)- (9CI)
SMILES: OC(C1=C(CO)CS[C@@]2([H])N1C([C@@]2([H])NC(C(Cl)Cl)=O)=O)=O
Tpsa: 106.94
Logp: -0.479
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:
C₁₀H₁₀Cl₂N₂O₅S
Molecular Weight:
341.17
Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(dichloroacetyl)amino]-3-(hydroxymethyl)-8-oxo-, (6R-trans)- (9CI)
SMILES:
OC(C1=C(CO)CS[C@@]2([H])N1C([C@@]2([H])NC(C(Cl)Cl)=O)=O)=O
Tpsa:
106.94
Logp:
-0.479
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: C₁₉H₁₉N₃O₆S
Molecular Weight: 417.44
Synonyms: None
SMILES: CC1=C(C(N[C@@]2([H])[C@](S(C(C)(C)[C@@]3(C(O)=O)[H])=O)([H])N3C2=O)=O)C(C4=CC=CC=C4)=NO1
Tpsa: 129.81
Logp: 0.91082
H Acceptors: 6
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:
C₁₉H₁₉N₃O₆S
Molecular Weight:
417.44
Synonyms:
None
SMILES:
CC1=C(C(N[C@@]2([H])[C@](S(C(C)(C)[C@@]3(C(O)=O)[H])=O)([H])N3C2=O)=O)C(C4=CC=CC=C4)=NO1
Tpsa:
129.81
Logp:
0.91082
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4