CS-1005469
Diacerein Impurity 15
Manufacturer: ChemScene
CAS Number: 96822-98-9
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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
C₂₁H₁₄O₉
Molecular Weight
410.33
Synonyms
None
SMILES
O=CC=1C=C(OC(=O)C)C=2C(=O)C=3C(OC(=O)C)=CC(OC(=O)C)=CC3C(=O)C2C1
Tpsa
130.11
Logp
2.0504
H Acceptors
9
H Donors
0
Rotatable Bonds
4
SAFETY INFORMATION
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: C₂₁H₁₄O₉
Molecular Weight: 410.33
Synonyms: None
SMILES: O=CC=1C=C(OC(=O)C)C=2C(=O)C=3C(OC(=O)C)=CC(OC(=O)C)=CC3C(=O)C2C1
Tpsa: 130.11
Logp: 2.0504
H Acceptors: 9
H Donors: 0
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:
C₂₁H₁₄O₉
Molecular Weight:
410.33
Synonyms:
None
SMILES:
O=CC=1C=C(OC(=O)C)C=2C(=O)C=3C(OC(=O)C)=CC(OC(=O)C)=CC3C(=O)C2C1
Tpsa:
130.11
Logp:
2.0504
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₂O₃
Molecular Weight: 334.41
Synonyms: None
SMILES: OCCC1=CC=C(OCC=2C=CC=CC2)C(OCC=3C=CC=CC3)=C1
Tpsa: 38.69
Logp: 4.3794
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 8
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₂O₃
Molecular Weight:
334.41
Synonyms:
None
SMILES:
OCCC1=CC=C(OCC=2C=CC=CC2)C(OCC=3C=CC=CC3)=C1
Tpsa:
38.69
Logp:
4.3794
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
8
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₀O
Molecular Weight: 288.38
Synonyms: None
SMILES: O(CC)C(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
Tpsa: 9.23
Logp: 5.015
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₀O
Molecular Weight:
288.38
Synonyms:
None
SMILES:
O(CC)C(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
Tpsa:
9.23
Logp:
5.015
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₉H₇₇N₂O₁₅S+
Molecular Weight: 1086.31
Synonyms: None
SMILES: S(=O)(=O)([O-])C1=CC=CC=C1.C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@@+]1(CCC(OCCCCCOC(CC[N@@+]3(C)[C@H](CC4=CC(OC)=C(OC)C=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)=O)C)C6=CC(OC)=C(OC)C=C6
Tpsa: 183.64
Logp: 8.6562
H Acceptors: 15
H Donors: 0
Rotatable Bonds: 25
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₉H₇₇N₂O₁₅S+
Molecular Weight:
1086.31
Synonyms:
None
SMILES:
S(=O)(=O)([O-])C1=CC=CC=C1.C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@@+]1(CCC(OCCCCCOC(CC[N@@+]3(C)[C@H](CC4=CC(OC)=C(OC)C=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)=O)C)C6=CC(OC)=C(OC)C=C6
Tpsa:
183.64
Logp:
8.6562
H Acceptors:
15
H Donors:
0
Rotatable Bonds:
25