CS-0494602
((6aR,9R,10aR)-4-Methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl 5-bromonicotinate Nicergoline Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₂₂H₂₂BrN₃O₂
Molecular Weight
440.33
Synonyms
None
SMILES
[H][C@@]1(CC2=CN3C)[C@@](C[C@@H](COC(C4=CC(Br)=CN=C4)=O)CN1)([H])C5=C2C3=CC=C5
Tpsa
56.15
Logp
3.8106
H Acceptors
5
H Donors
1
Rotatable Bonds
3
Other Options
...
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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: C₂₂H₂₂BrN₃O₂
Molecular Weight: 440.33
Synonyms: None
SMILES: [H][C@@]1(CC2=CN3C)[C@@](C[C@@H](COC(C4=CC(Br)=CN=C4)=O)CN1)([H])C5=C2C3=CC=C5
Tpsa: 56.15
Logp: 3.8106
H Acceptors: 5
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:
C₂₂H₂₂BrN₃O₂
Molecular Weight:
440.33
Synonyms:
None
SMILES:
[H][C@@]1(CC2=CN3C)[C@@](C[C@@H](COC(C4=CC(Br)=CN=C4)=O)CN1)([H])C5=C2C3=CC=C5
Tpsa:
56.15
Logp:
3.8106
H Acceptors:
5
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: C₁₀H₇BrO₄
Molecular Weight: 271.06
Synonyms: None
SMILES: COC(=O)C1C(=O)C2=C(C=C(Br)C=C2)O1
Tpsa: 52.6
Logp: 1.5658
H Acceptors: 4
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:
C₁₀H₇BrO₄
Molecular Weight:
271.06
Synonyms:
None
SMILES:
COC(=O)C1C(=O)C2=C(C=C(Br)C=C2)O1
Tpsa:
52.6
Logp:
1.5658
H Acceptors:
4
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: C₈H₇BrO₂
Molecular Weight: 215.04
Synonyms: (3R)-6-bromo-2,3-dihydrobenzofuran-3-ol
SMILES: BrC1=CC2=C(C=C1)[C@@H](O)CO2
Tpsa: 29.46
Logp: 1.8749
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇BrO₂
Molecular Weight:
215.04
Synonyms:
(3R)-6-bromo-2,3-dihydrobenzofuran-3-ol
SMILES:
BrC1=CC2=C(C=C1)[C@@H](O)CO2
Tpsa:
29.46
Logp:
1.8749
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD11036508
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈ClN
Molecular Weight: 165.62
Synonyms: α-(m-Chlorphenyl)propionitril
SMILES: N#CC(C)C1=CC(Cl)=CC=C1
Tpsa: 23.79
Logp: 2.96708
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD11036508
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈ClN
Molecular Weight:
165.62
Synonyms:
α-(m-Chlorphenyl)propionitril
SMILES:
N#CC(C)C1=CC(Cl)=CC=C1
Tpsa:
23.79
Logp:
2.96708
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1