CS-1002817
Canagliflozin Impurity 103
Manufacturer: ChemScene
CAS Number: 2243132-56-9
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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
C₃₄H₃₅FO₁₁S
Molecular Weight
670.70
Synonyms
None
SMILES
O(C(C)=O)[C@@]1([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1)C2=CC(CC=3SC(=CC3)C4=CC=C(F)C=C4)=C(C)C=C2
Tpsa
140.73
Logp
4.92632
H Acceptors
12
H Donors
0
Rotatable Bonds
10
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: C₃₄H₃₅FO₁₁S
Molecular Weight: 670.70
Synonyms: None
SMILES: O(C(C)=O)[C@@]1([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1)C2=CC(CC=3SC(=CC3)C4=CC=C(F)C=C4)=C(C)C=C2
Tpsa: 140.73
Logp: 4.92632
H Acceptors: 12
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:
C₃₄H₃₅FO₁₁S
Molecular Weight:
670.70
Synonyms:
None
SMILES:
O(C(C)=O)[C@@]1([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1)C2=CC(CC=3SC(=CC3)C4=CC=C(F)C=C4)=C(C)C=C2
Tpsa:
140.73
Logp:
4.92632
H Acceptors:
12
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: C₄₆H₅₅NO₁₄
Molecular Weight: 845.93
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(C/C=C/CC)=O)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa: 221.29
Logp: 3.7782
H Acceptors: 14
H Donors: 4
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₆H₅₅NO₁₄
Molecular Weight:
845.93
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(C/C=C/CC)=O)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa:
221.29
Logp:
3.7782
H Acceptors:
14
H Donors:
4
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₉NO₂
Molecular Weight: 115.13
Synonyms: None
SMILES: O=C(NCC1OC1)C
Tpsa: 41.63
Logp: -0.4787
H Acceptors: 2
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:
C₅H₉NO₂
Molecular Weight:
115.13
Synonyms:
None
SMILES:
O=C(NCC1OC1)C
Tpsa:
41.63
Logp:
-0.4787
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂ClNO
Molecular Weight: 197.66
Synonyms: None
SMILES: C(=NC[C@@H](CCl)O)C1=CC=CC=C1
Tpsa: 32.59
Logp: 1.7052
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂ClNO
Molecular Weight:
197.66
Synonyms:
None
SMILES:
C(=NC[C@@H](CCl)O)C1=CC=CC=C1
Tpsa:
32.59
Logp:
1.7052
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4