CS-0379893
(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triyl triacetate Canagliflozin Impurity
Manufacturer: ChemScene
CAS Number: 1908474-06-5
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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
C₃₃H₃₅FO₁₀S
Molecular Weight
642.69
Synonyms
None
SMILES
CO[C@]1(C2=CC(CC3=CC=C(C4=CC=C(C=C4)F)S3)=C(C=C2)C)[C@@H]([C@H]([C@@H]([C@H](O1)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
Tpsa
123.66
Logp
5.00962
H Acceptors
11
H Donors
0
Rotatable Bonds
10
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1908474-06-5 | (2S,3R,4S,5R,6R)-6-(Acetoxymethyl)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triyl triacetate Canagliflozin Impurity | A2B Chem | -- |
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https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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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: C₃₃H₃₅FO₁₀S
Molecular Weight: 642.69
Synonyms: None
SMILES: CO[C@]1(C2=CC(CC3=CC=C(C4=CC=C(C=C4)F)S3)=C(C=C2)C)[C@@H]([C@H]([C@@H]([C@H](O1)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
Tpsa: 123.66
Logp: 5.00962
H Acceptors: 11
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₅FO₁₀S
Molecular Weight:
642.69
Synonyms:
None
SMILES:
CO[C@]1(C2=CC(CC3=CC=C(C4=CC=C(C=C4)F)S3)=C(C=C2)C)[C@@H]([C@H]([C@@H]([C@H](O1)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
Tpsa:
123.66
Logp:
5.00962
H Acceptors:
11
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈N₂O₄S
Molecular Weight: 298.36
Synonyms: N-Pivaloyl 7-aminodesacetoxycephalosporanic acid
SMILES: CC1=C(C(O)=O)N2C([C@H]([C@H]2SC1)NC(C(C)(C)C)=O)=O
Tpsa: 86.71
Logp: 0.791
H Acceptors: 4
H Donors: 2
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:
C₁₃H₁₈N₂O₄S
Molecular Weight:
298.36
Synonyms:
N-Pivaloyl 7-aminodesacetoxycephalosporanic acid
SMILES:
CC1=C(C(O)=O)N2C([C@H]([C@H]2SC1)NC(C(C)(C)C)=O)=O
Tpsa:
86.71
Logp:
0.791
H Acceptors:
4
H Donors:
2
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: C₁₈H₂₀ClNOS
Molecular Weight: 333.88
Synonyms: (R)-duloxetine hydrochloride
SMILES: CNCC[C@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC=C3.Cl
Tpsa: 21.26
Logp: 5.0527
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₀ClNOS
Molecular Weight:
333.88
Synonyms:
(R)-duloxetine hydrochloride
SMILES:
CNCC[C@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC=C3.Cl
Tpsa:
21.26
Logp:
5.0527
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₆N₂O₂
Molecular Weight: 278.39
Synonyms: N-(2-aminoethyl)-2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetamide
SMILES: O=C(NCCN)CC1=C(C)C=C(C(C)(C)C)C(O)=C1C
Tpsa: 75.35
Logp: 1.92394
H Acceptors: 3
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:
C₁₆H₂₆N₂O₂
Molecular Weight:
278.39
Synonyms:
N-(2-aminoethyl)-2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetamide
SMILES:
O=C(NCCN)CC1=C(C)C=C(C(C)(C)C)C(O)=C1C
Tpsa:
75.35
Logp:
1.92394
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
4