CS-0497710
(6R,7R)-7-((R)-2-((6R,7R)-7-((R)-2-Amino-2-(cyclohexa-1,4-dien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamido)-2-(cyclohexa-1,4-dien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cefradine 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
C₃₂H₃₆N₆O₇S₂
Molecular Weight
680.79
Synonyms
None
SMILES
CC1=C(C(O)=O)N(C([C@]2(NC([C@H](NC(C3=C(C)CS[C@@]4([H])N3C([C@]4(NC([C@H](N)C5=CCC=CC5)=O)[H])=O)=O)C6=CCC=CC6)=O)[H])=O)[C@]2([H])SC1
Tpsa
191.24
Logp
0.7837
H Acceptors
9
H Donors
5
Rotatable Bonds
9
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: C₃₂H₃₆N₆O₇S₂
Molecular Weight: 680.79
Synonyms: None
SMILES: CC1=C(C(O)=O)N(C([C@]2(NC([C@H](NC(C3=C(C)CS[C@@]4([H])N3C([C@]4(NC([C@H](N)C5=CCC=CC5)=O)[H])=O)=O)C6=CCC=CC6)=O)[H])=O)[C@]2([H])SC1
Tpsa: 191.24
Logp: 0.7837
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:
CC1=C(C(O)=O)N(C([C@]2(NC([C@H](NC(C3=C(C)CS[C@@]4([H])N3C([C@]4(NC([C@H](N)C5=CCC=CC5)=O)[H])=O)=O)C6=CCC=CC6)=O)[H])=O)[C@]2([H])SC1
Tpsa:
191.24
Logp:
0.7837
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: C₁₉H₁₈ClN₃O₅S
Molecular Weight: 435.88
Synonyms: None
SMILES: ClC1=C(C2=NOC(C)=C2C(N[C@]([C@]3([H])N4[C@@]([H])(C(O)=O)C(C)(C)S3)([H])C4=O)=O)C=CC=C1
Tpsa: 112.74
Logp: 2.54872
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:
C₁₉H₁₈ClN₃O₅S
Molecular Weight:
435.88
Synonyms:
None
SMILES:
ClC1=C(C2=NOC(C)=C2C(N[C@]([C@]3([H])N4[C@@]([H])(C(O)=O)C(C)(C)S3)([H])C4=O)=O)C=CC=C1
Tpsa:
112.74
Logp:
2.54872
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: C₂₁H₂₇N₃O₅S
Molecular Weight: 433.52
Synonyms: None
SMILES: CC1=C(C(O)=O)N(C([C@]2(NC([C@H](NC(C(C)(C)C)=O)C3=CCC=CC3)=O)[H])=O)[C@]2([H])SC1
Tpsa: 115.81
Logp: 1.5522
H Acceptors: 5
H Donors: 3
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:
C₂₁H₂₇N₃O₅S
Molecular Weight:
433.52
Synonyms:
None
SMILES:
CC1=C(C(O)=O)N(C([C@]2(NC([C@H](NC(C(C)(C)C)=O)C3=CCC=CC3)=O)[H])=O)[C@]2([H])SC1
Tpsa:
115.81
Logp:
1.5522
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₉N₃O₄S₂
Molecular Weight: 417.50
Synonyms: Thioxacillin
SMILES: OC(C(C(C)(C)SC1C2NC(C3=C(C)ON=C3C4=CC=CC=C4)=O)N1C2=O)=S
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₉N₃O₄S₂
Molecular Weight:
417.50
Synonyms:
Thioxacillin
SMILES:
OC(C(C(C)(C)SC1C2NC(C3=C(C)ON=C3C4=CC=CC=C4)=O)N1C2=O)=S
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A