CS-0532989
(R)-4-(3,4-Dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-one Sertraline Impurity
Manufacturer: ChemScene
CAS Number: 155748-61-1
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Purity
98%
MDL No
MFCD18379361
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₆H₁₂Cl₂O
Molecular Weight
291.17
Synonyms
(R)-4-(3,4-Dichlorophenyl)-1-tetralone
SMILES
O=C1C2=CC=CC=C2[C@@H](C3=CC(Cl)=C(C=C3)Cl)CC1
Tpsa
17.07
Logp
5.1018
H Acceptors
1
H Donors
0
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 155748-61-1 | (R)-4-(3,4-Dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-one | A2B Chem | ₹ 22,339.00 - ₹ 1,07,601.00 |
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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Purity: 98%
MDL No: MFCD18379361
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₂Cl₂O
Molecular Weight: 291.17
Synonyms: (R)-4-(3,4-Dichlorophenyl)-1-tetralone
SMILES: O=C1C2=CC=CC=C2[C@@H](C3=CC(Cl)=C(C=C3)Cl)CC1
Tpsa: 17.07
Logp: 5.1018
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD18379361
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₂Cl₂O
Molecular Weight:
291.17
Synonyms:
(R)-4-(3,4-Dichlorophenyl)-1-tetralone
SMILES:
O=C1C2=CC=CC=C2[C@@H](C3=CC(Cl)=C(C=C3)Cl)CC1
Tpsa:
17.07
Logp:
5.1018
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1
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