CS-1002166
Dapagliflozin Impurity 176
Manufacturer: ChemScene
CAS Number: 1807632-94-5
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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
C₂₂H₂₇BrO₇
Molecular Weight
483.35
Synonyms
None
SMILES
O(C)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(CC3=CC=C(OCC)C=C3)=C(Br)C=C2
Tpsa
108.61
Logp
1.7116
H Acceptors
7
H Donors
4
Rotatable Bonds
7
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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: C₂₂H₂₇BrO₇
Molecular Weight: 483.35
Synonyms: None
SMILES: O(C)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(CC3=CC=C(OCC)C=C3)=C(Br)C=C2
Tpsa: 108.61
Logp: 1.7116
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₇BrO₇
Molecular Weight:
483.35
Synonyms:
None
SMILES:
O(C)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(CC3=CC=C(OCC)C=C3)=C(Br)C=C2
Tpsa:
108.61
Logp:
1.7116
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₃BrO₁₀
Molecular Weight: 621.47
Synonyms: None
SMILES: O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2=CC(CC3=CC=C(OCC)C=C3)=C(Br)C=C2
Tpsa: 123.66
Logp: 4.2367
H Acceptors: 10
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:
C₂₉H₃₃BrO₁₀
Molecular Weight:
621.47
Synonyms:
None
SMILES:
O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2=CC(CC3=CC=C(OCC)C=C3)=C(Br)C=C2
Tpsa:
123.66
Logp:
4.2367
H Acceptors:
10
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: C₂₉H₂₄ClFN₄O₄S
Molecular Weight: 579.04
Synonyms: None
SMILES: O=S(=O)(C)CC[N+]=1C=C([O-])C=CC1C2=CC=C3N=CN=C(NC4=CC=C(OCC=5C=CC=C(F)C5)C(Cl)=C4)C3=C2
Tpsa: 108.12
Logp: 4.8176
H Acceptors: 7
H Donors: 1
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:
C₂₉H₂₄ClFN₄O₄S
Molecular Weight:
579.04
Synonyms:
None
SMILES:
O=S(=O)(C)CC[N+]=1C=C([O-])C=CC1C2=CC=C3N=CN=C(NC4=CC=C(OCC=5C=CC=C(F)C5)C(Cl)=C4)C3=C2
Tpsa:
108.12
Logp:
4.8176
H Acceptors:
7
H Donors:
1
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: C₂₁H₃₅NO₃
Molecular Weight: 349.51
Synonyms: None
SMILES: O=C(OCC(N)(CO)CCC1=CC=C(C=C1)CCCCCCCC)C
Tpsa: 72.55
Logp: 3.7751
H Acceptors: 4
H Donors: 2
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:
C₂₁H₃₅NO₃
Molecular Weight:
349.51
Synonyms:
None
SMILES:
O=C(OCC(N)(CO)CCC1=CC=C(C=C1)CCCCCCCC)C
Tpsa:
72.55
Logp:
3.7751
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
13