CS-0532731
N-((7S)-1,2-Dimethoxy-10-(methylsulfinyl)-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
Manufacturer: ChemScene
CAS Number: 1359973-79-7
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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
C₂₇H₃₃NO₁₁S
Molecular Weight
579.62
Synonyms
Thiocolchicoside EP Impurity J (Thiocolchicoside Impurity D1SO) (Mixture of Diastereomers)
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)C4=O
Tpsa
181.08
Logp
-0.2295
H Acceptors
11
H Donors
5
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1359973-79-7 | N-((7S)-1,2-Dimethoxy-10-(methylsulfinyl)-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 | A2B Chem | -- |
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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: C₂₇H₃₃NO₁₁S
Molecular Weight: 579.62
Synonyms: Thiocolchicoside EP Impurity J (Thiocolchicoside Impurity D1SO) (Mixture of Diastereomers)
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)C4=O
Tpsa: 181.08
Logp: -0.2295
H Acceptors: 11
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:
C₂₇H₃₃NO₁₁S
Molecular Weight:
579.62
Synonyms:
Thiocolchicoside EP Impurity J (Thiocolchicoside Impurity D1SO) (Mixture of Diastereomers)
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)C4=O
Tpsa:
181.08
Logp:
-0.2295
H Acceptors:
11
H Donors:
5
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₂Br₂FNO₂
Molecular Weight: 298.89
Synonyms: None
SMILES: O=[N+](C1=CC=C(Br)C(Br)=C1F)[O-]
Tpsa: 43.14
Logp: 3.2589
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₂Br₂FNO₂
Molecular Weight:
298.89
Synonyms:
None
SMILES:
O=[N+](C1=CC=C(Br)C(Br)=C1F)[O-]
Tpsa:
43.14
Logp:
3.2589
H Acceptors:
2
H Donors:
0
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: C₂₃H₂₇F₂N₃O₂
Molecular Weight: 415.48
Synonyms: DES(6-fluoro-1,2-benzoxazole)-2,4-difluorobenzoyl risperidone
SMILES: O=C1C(CCN2CCC(CC2)C(C3=CC=C(C=C3F)F)=O)=C(C)N=C4N1CCCC4
Tpsa: 55.2
Logp: 3.30362
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₇F₂N₃O₂
Molecular Weight:
415.48
Synonyms:
DES(6-fluoro-1,2-benzoxazole)-2,4-difluorobenzoyl risperidone
SMILES:
O=C1C(CCN2CCC(CC2)C(C3=CC=C(C=C3F)F)=O)=C(C)N=C4N1CCCC4
Tpsa:
55.2
Logp:
3.30362
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₉H₈₄N₁₆O₁₂
Molecular Weight: 1209.40
Synonyms: Leuprorelin EP Impurity F
SMILES: O=C([C@@H]1CCC(N1)=O)N[C@H](CC2=CN=CN2)C(N[C@H](C(N[C@H](CO)C(N[C@H](C(N[C@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N3[C@@H](CCC3)C(NCC)=O)=O)=O)=O)=O)CC4=CC=C(C=C4)O)=O)=O)CC5=CNC6=CC=CC=C56)=O
Tpsa: 429.04
Logp: -1.22843
H Acceptors: 14
H Donors: 16
Rotatable Bonds: 32
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₉H₈₄N₁₆O₁₂
Molecular Weight:
1209.40
Synonyms:
Leuprorelin EP Impurity F
SMILES:
O=C([C@@H]1CCC(N1)=O)N[C@H](CC2=CN=CN2)C(N[C@H](C(N[C@H](CO)C(N[C@H](C(N[C@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N3[C@@H](CCC3)C(NCC)=O)=O)=O)=O)=O)CC4=CC=C(C=C4)O)=O)=O)CC5=CNC6=CC=CC=C56)=O
Tpsa:
429.04
Logp:
-1.22843
H Acceptors:
14
H Donors:
16
Rotatable Bonds:
32