CS-1005330
Diacerein Impurity 13
Manufacturer: ChemScene
CAS Number: 925672-49-7
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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
C₁₇H₁₂O₆
Molecular Weight
312.27
Synonyms
None
SMILES
O=C1C=2C=C(O)C=C(OC(=O)C)C2C(=O)C3=C(O)C=C(C=C13)C
Tpsa
100.9
Logp
2.10692
H Acceptors
6
H Donors
2
Rotatable Bonds
1
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: C₁₇H₁₂O₆
Molecular Weight: 312.27
Synonyms: None
SMILES: O=C1C=2C=C(O)C=C(OC(=O)C)C2C(=O)C3=C(O)C=C(C=C13)C
Tpsa: 100.9
Logp: 2.10692
H Acceptors: 6
H Donors: 2
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:
C₁₇H₁₂O₆
Molecular Weight:
312.27
Synonyms:
None
SMILES:
O=C1C=2C=C(O)C=C(OC(=O)C)C2C(=O)C3=C(O)C=C(C=C13)C
Tpsa:
100.9
Logp:
2.10692
H Acceptors:
6
H Donors:
2
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: C₁₉H₁₄O₇
Molecular Weight: 354.31
Synonyms: None
SMILES: O=C(OC1=CC(O)=CC=2C(=O)C3=CC(=CC(OC(=O)C)=C3C(=O)C12)C)C
Tpsa: 106.97
Logp: 2.32662
H Acceptors: 7
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:
C₁₉H₁₄O₇
Molecular Weight:
354.31
Synonyms:
None
SMILES:
O=C(OC1=CC(O)=CC=2C(=O)C3=CC(=CC(OC(=O)C)=C3C(=O)C12)C)C
Tpsa:
106.97
Logp:
2.32662
H Acceptors:
7
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: C₂₁H₂₅N
Molecular Weight: 291.43
Synonyms: None
SMILES: C(N(C/C=C\C#CC(C)(C)C)C)C1=CC2=C(C=C1)C=CC=C2
Tpsa: 3.24
Logp: 4.8773
H Acceptors: 1
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:
C₂₁H₂₅N
Molecular Weight:
291.43
Synonyms:
None
SMILES:
C(N(C/C=C\C#CC(C)(C)C)C)C1=CC2=C(C=C1)C=CC=C2
Tpsa:
3.24
Logp:
4.8773
H Acceptors:
1
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: C₇H₁₆ClNO₂
Molecular Weight: 181.66
Synonyms: None
SMILES: O(C([C@H](C)N)=O)C(CC)C.Cl
Tpsa: 52.32
Logp: 1.0971
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₆ClNO₂
Molecular Weight:
181.66
Synonyms:
None
SMILES:
O(C([C@H](C)N)=O)C(CC)C.Cl
Tpsa:
52.32
Logp:
1.0971
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3