CS-0532798
N-((S)-1,2-Dimethoxy-10-(methylsulfonyl)-9-oxo-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide Thiocolchicoside Impurity D1SO2
Manufacturer: ChemScene
CAS Number: 1359973-80-0
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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
C₂₇H₃₃NO₁₂S
Molecular Weight
595.62
Synonyms
None
SMILES
COC1=C2C(C([C@H](CCC2=CC(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=C1OC)NC(C)=O)=C4)=CC=C(S(C)(=O)=O)C4=O
Tpsa
198.15
Logp
-0.5634
H Acceptors
12
H Donors
5
Rotatable Bonds
7
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/toxic.svg
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
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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: C₂₇H₃₃NO₁₂S
Molecular Weight: 595.62
Synonyms: None
SMILES: COC1=C2C(C([C@H](CCC2=CC(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=C1OC)NC(C)=O)=C4)=CC=C(S(C)(=O)=O)C4=O
Tpsa: 198.15
Logp: -0.5634
H Acceptors: 12
H Donors: 5
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:
C₂₇H₃₃NO₁₂S
Molecular Weight:
595.62
Synonyms:
None
SMILES:
COC1=C2C(C([C@H](CCC2=CC(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=C1OC)NC(C)=O)=C4)=CC=C(S(C)(=O)=O)C4=O
Tpsa:
198.15
Logp:
-0.5634
H Acceptors:
12
H Donors:
5
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: C₁₈H₁₅Cl₃N₂O
Molecular Weight: 381.68
Synonyms: Miconazole Impurity I
SMILES: ClC1=CC=C(C(CN2C=NC=C2)OCC3=C(Cl)C=CC=C3)C(Cl)=C1
Tpsa: 27.05
Logp: 5.8014
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₅Cl₃N₂O
Molecular Weight:
381.68
Synonyms:
Miconazole Impurity I
SMILES:
ClC1=CC=C(C(CN2C=NC=C2)OCC3=C(Cl)C=CC=C3)C(Cl)=C1
Tpsa:
27.05
Logp:
5.8014
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₆ClN₃O₃S
Molecular Weight: 365.83
Synonyms: m-Metolazone
SMILES: O=C1C2=CC(S(=O)(N)=O)=C(C=C2NC(C)N1C3=CC=CC(C)=C3)Cl
Tpsa: 92.5
Logp: 2.71412
H Acceptors: 4
H Donors: 2
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:
C₁₆H₁₆ClN₃O₃S
Molecular Weight:
365.83
Synonyms:
m-Metolazone
SMILES:
O=C1C2=CC(S(=O)(N)=O)=C(C=C2NC(C)N1C3=CC=CC(C)=C3)Cl
Tpsa:
92.5
Logp:
2.71412
H Acceptors:
4
H Donors:
2
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: C₁₈H₂₂N₂O
Molecular Weight: 282.38
Synonyms: [2-(4-Methyl-2-phenylpiperazin-1-yl)phenyl]methanol
SMILES: OCC1=C(N2CCN(CC2C3=CC=CC=C3)C)C=CC=C1
Tpsa: 26.71
Logp: 2.672
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:
C₁₈H₂₂N₂O
Molecular Weight:
282.38
Synonyms:
[2-(4-Methyl-2-phenylpiperazin-1-yl)phenyl]methanol
SMILES:
OCC1=C(N2CCN(CC2C3=CC=CC=C3)C)C=CC=C1
Tpsa:
26.71
Logp:
2.672
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3