CS-0494428
((6aR,6'aR,9R,9'R,10aS,10'aS)-10a,10'a-Dimethoxy-7,7'-dimethyl-4',6a,6',6'a,7,7',8,8',9,9',10,10a,10',10'a-tetradecahydro-6H-[4,5'-biindolo[4,3-fg]quinoline]-9,9'-diyl)bis(methylene) bis(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
C₄₆H₄₆Br₂N₆O₆
Molecular Weight
938.70
Synonyms
None
SMILES
[H][C@]1([C@@](OC)2C[C@H](CN1C)COC(C3=CC(Br)=CN=C3)=O)CC4=C(NC5=CC=CC2=C45)N6C=C7C[C@@]8([C@@](OC)(C9=C7C6=CC=C9)C[C@H](CN8C)COC(C%10=CC(Br)=CN=C%10)=O)[H]
Tpsa
124.04
Logp
7.577
H Acceptors
11
H Donors
1
Rotatable Bonds
9
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: C₄₆H₄₆Br₂N₆O₆
Molecular Weight: 938.70
Synonyms: None
SMILES: [H][C@]1([C@@](OC)2C[C@H](CN1C)COC(C3=CC(Br)=CN=C3)=O)CC4=C(NC5=CC=CC2=C45)N6C=C7C[C@@]8([C@@](OC)(C9=C7C6=CC=C9)C[C@H](CN8C)COC(C%10=CC(Br)=CN=C%10)=O)[H]
Tpsa: 124.04
Logp: 7.577
H Acceptors: 11
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₆H₄₆Br₂N₆O₆
Molecular Weight:
938.70
Synonyms:
None
SMILES:
[H][C@]1([C@@](OC)2C[C@H](CN1C)COC(C3=CC(Br)=CN=C3)=O)CC4=C(NC5=CC=CC2=C45)N6C=C7C[C@@]8([C@@](OC)(C9=C7C6=CC=C9)C[C@H](CN8C)COC(C%10=CC(Br)=CN=C%10)=O)[H]
Tpsa:
124.04
Logp:
7.577
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: MFCD30179844
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₃Cl₂N₃
Molecular Weight: 222.11
Synonyms: 4,5,11-Triazatricyclo[6.2.1.0,2,6]undeca-2(6),3-diene dihydrochloride
SMILES: Cl.Cl.N1=CC2C3NC(CC3)CC=2N1
Tpsa: 40.71
Logp: 1.6025
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD30179844
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₃Cl₂N₃
Molecular Weight:
222.11
Synonyms:
4,5,11-Triazatricyclo[6.2.1.0,2,6]undeca-2(6),3-diene dihydrochloride
SMILES:
Cl.Cl.N1=CC2C3NC(CC3)CC=2N1
Tpsa:
40.71
Logp:
1.6025
H Acceptors:
2
H Donors:
2
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: C₈H₁₄ClNO₂
Molecular Weight: 191.66
Synonyms: None
SMILES: Cl.OC(=O)C1C2C(CNC2)CC1
Tpsa: 49.33
Logp: 0.7384
H Acceptors: 2
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:
C₈H₁₄ClNO₂
Molecular Weight:
191.66
Synonyms:
None
SMILES:
Cl.OC(=O)C1C2C(CNC2)CC1
Tpsa:
49.33
Logp:
0.7384
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD18917301
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₁NO
Molecular Weight: 113.16
Synonyms: None
SMILES: N[C@H]1[C@H]2O[C@H](CC2)C1
Tpsa: 35.25
Logp: 0.265
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD18917301
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₁NO
Molecular Weight:
113.16
Synonyms:
None
SMILES:
N[C@H]1[C@H]2O[C@H](CC2)C1
Tpsa:
35.25
Logp:
0.265
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0