CS-0532990
Sodium4-(2-(((2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino)-2-oxoethyl)phenolate Benzylpenicillin Impurity
Manufacturer: ChemScene
CAS Number: 5985-13-7
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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
C₁₆H₁₇N₂NaO₅S
Molecular Weight
372.37
Synonyms
(2S,5β)-6α-[[(4-Hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid sodium salt
SMILES
OC([C@@H]1N2[C@@](SC1(C)C)([H])[C@@H](C2=O)NC(CC3=CC=C(C=C3)O[Na])=O)=O
Tpsa
95.94
Logp
0.3231
H Acceptors
5
H Donors
2
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 5985-13-7 | (2S,5β)-6α-[[(4-Hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid sodium salt | A2B Chem | ₹ 3,54,665.00 |
SAFETY INFORMATION
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: C₁₆H₁₇N₂NaO₅S
Molecular Weight: 372.37
Synonyms: (2S,5β)-6α-[[(4-Hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid sodium salt
SMILES: OC([C@@H]1N2[C@@](SC1(C)C)([H])[C@@H](C2=O)NC(CC3=CC=C(C=C3)O[Na])=O)=O
Tpsa: 95.94
Logp: 0.3231
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:
C₁₆H₁₇N₂NaO₅S
Molecular Weight:
372.37
Synonyms:
(2S,5β)-6α-[[(4-Hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid sodium salt
SMILES:
OC([C@@H]1N2[C@@](SC1(C)C)([H])[C@@H](C2=O)NC(CC3=CC=C(C=C3)O[Na])=O)=O
Tpsa:
95.94
Logp:
0.3231
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: C₉H₁₆BrNO₂
Molecular Weight: 250.13
Synonyms: None
SMILES: O[C@@H]1[C@]2([H])[C@]3([H])[N+](C)([C@H]1C[C@@H](C3)O2)C.[Br-]
Tpsa: 29.46
Logp: -3.2603
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₆BrNO₂
Molecular Weight:
250.13
Synonyms:
None
SMILES:
O[C@@H]1[C@]2([H])[C@]3([H])[N+](C)([C@H]1C[C@@H](C3)O2)C.[Br-]
Tpsa:
29.46
Logp:
-3.2603
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₂BrNO₄S₂
Molecular Weight: 472.42
Synonyms: Tiotropium EP Impurity I
SMILES: C[N+]1(C)[C@H](C2)[C@](O3)([H])[C@]3([H])[C@@H]1C[C@H]2OC(C(C4=CC=CS4)(C5=CC=CS5)O)=O.[Br-]
Tpsa: 59.06
Logp: -0.6503
H Acceptors: 6
H Donors: 1
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:
C₁₉H₂₂BrNO₄S₂
Molecular Weight:
472.42
Synonyms:
Tiotropium EP Impurity I
SMILES:
C[N+]1(C)[C@H](C2)[C@](O3)([H])[C@]3([H])[C@@H]1C[C@H]2OC(C(C4=CC=CS4)(C5=CC=CS5)O)=O.[Br-]
Tpsa:
59.06
Logp:
-0.6503
H Acceptors:
6
H Donors:
1
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: C₇H₆FNO₃
Molecular Weight: 171.13
Synonyms: 6-Fluoro-4-methoxy-nicotinic acid
SMILES: O=C(C1=CN=C(C=C1OC)F)O
Tpsa: 59.42
Logp: 0.9275
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆FNO₃
Molecular Weight:
171.13
Synonyms:
6-Fluoro-4-methoxy-nicotinic acid
SMILES:
O=C(C1=CN=C(C=C1OC)F)O
Tpsa:
59.42
Logp:
0.9275
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2