CS-1013848
Dapagliflozin Benzylic Dimer Impurity
Manufacturer: ChemScene
CAS Number: 2714814-62-5
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₄₂H₄₈Cl₂O₁₂
Molecular Weight
815.73
Synonyms
None
SMILES
C(C1=C(OCC)C=CC(CC2=CC(=CC=C2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1)(C4=CC(=CC=C4Cl)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C6=CC=C(OCC)C=C6
Tpsa
198.76
Logp
3.5916
H Acceptors
12
H Donors
8
Rotatable Bonds
13
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₂H₄₈Cl₂O₁₂
Molecular Weight: 815.73
Synonyms: None
SMILES: C(C1=C(OCC)C=CC(CC2=CC(=CC=C2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1)(C4=CC(=CC=C4Cl)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C6=CC=C(OCC)C=C6
Tpsa: 198.76
Logp: 3.5916
H Acceptors: 12
H Donors: 8
Rotatable Bonds: 13
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₂H₄₈Cl₂O₁₂
Molecular Weight:
815.73
Synonyms:
None
SMILES:
C(C1=C(OCC)C=CC(CC2=CC(=CC=C2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1)(C4=CC(=CC=C4Cl)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C6=CC=C(OCC)C=C6
Tpsa:
198.76
Logp:
3.5916
H Acceptors:
12
H Donors:
8
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₃BrN₂O
Molecular Weight: 387.31
Synonyms: None
SMILES: BrC1=CC=C2C(=C1)CCC3=CC=CN=C3C2(O)C4CCN(C)CC4
Tpsa: 36.36
Logp: 3.5204
H Acceptors: 3
H Donors: 1
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:
C₂₀H₂₃BrN₂O
Molecular Weight:
387.31
Synonyms:
None
SMILES:
BrC1=CC=C2C(=C1)CCC3=CC=CN=C3C2(O)C4CCN(C)CC4
Tpsa:
36.36
Logp:
3.5204
H Acceptors:
3
H Donors:
1
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: C₂₁H₁₇ClF₃NO₃
Molecular Weight: 423.81
Synonyms: None
SMILES: [C@](C#CC1CC1)([C@@](F)(F)F)(O)C2=C(NC(=O)C3=CC=C(OC)C=C3)C=CC(Cl)=C2
Tpsa: 58.56
Logp: 4.7642
H Acceptors: 3
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:
C₂₁H₁₇ClF₃NO₃
Molecular Weight:
423.81
Synonyms:
None
SMILES:
[C@](C#CC1CC1)([C@@](F)(F)F)(O)C2=C(NC(=O)C3=CC=C(OC)C=C3)C=CC(Cl)=C2
Tpsa:
58.56
Logp:
4.7642
H Acceptors:
3
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: C₂₂H₂₄N₂O₂S
Molecular Weight: 380.50
Synonyms: None
SMILES: C(C=1C=2C(NC1)=CC=C(/C=C/S(=O)(=O)C3=CC=CC=C3)C2)[C@@H]4N(C)CCC4
Tpsa: 53.17
Logp: 4.2492
H Acceptors: 3
H Donors: 1
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:
C₂₂H₂₄N₂O₂S
Molecular Weight:
380.50
Synonyms:
None
SMILES:
C(C=1C=2C(NC1)=CC=C(/C=C/S(=O)(=O)C3=CC=CC=C3)C2)[C@@H]4N(C)CCC4
Tpsa:
53.17
Logp:
4.2492
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5