CS-0493746
((6aR,9R,10aS)-10a-Methoxy-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: 192504-81-7
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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
C₂₃H₂₄BrN₃O₃
Molecular Weight
470.36
Synonyms
Nicergoline Impurity ABCDEFGHIJKL
SMILES
[H][C@@]1(CC2=CN3C)[C@@](C[C@@H](COC(C4=CC(Br)=CN=C4)=O)CN1)(OC)C5=C2C3=CC=C5
Tpsa
65.38
Logp
3.5687
H Acceptors
6
H Donors
1
Rotatable Bonds
4
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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: C₂₃H₂₄BrN₃O₃
Molecular Weight: 470.36
Synonyms: Nicergoline Impurity ABCDEFGHIJKL
SMILES: [H][C@@]1(CC2=CN3C)[C@@](C[C@@H](COC(C4=CC(Br)=CN=C4)=O)CN1)(OC)C5=C2C3=CC=C5
Tpsa: 65.38
Logp: 3.5687
H Acceptors: 6
H Donors: 1
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:
C₂₃H₂₄BrN₃O₃
Molecular Weight:
470.36
Synonyms:
Nicergoline Impurity ABCDEFGHIJKL
SMILES:
[H][C@@]1(CC2=CN3C)[C@@](C[C@@H](COC(C4=CC(Br)=CN=C4)=O)CN1)(OC)C5=C2C3=CC=C5
Tpsa:
65.38
Logp:
3.5687
H Acceptors:
6
H Donors:
1
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: C₈H₆ClN₃O
Molecular Weight: 195.61
Synonyms: None
SMILES: O=CC1C2=C(N=C(Cl)N=C2)N(C)C=1
Tpsa: 47.78
Logp: 1.4342
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:
C₈H₆ClN₃O
Molecular Weight:
195.61
Synonyms:
None
SMILES:
O=CC1C2=C(N=C(Cl)N=C2)N(C)C=1
Tpsa:
47.78
Logp:
1.4342
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: C₁₁H₁₂ClN₃O
Molecular Weight: 237.69
Synonyms: None
SMILES: O=CC1C2=C(NC=1)N=C(C(C)(C)C)N=C2Cl
Tpsa: 58.64
Logp: 2.7213
H Acceptors: 3
H Donors: 1
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:
C₁₁H₁₂ClN₃O
Molecular Weight:
237.69
Synonyms:
None
SMILES:
O=CC1C2=C(NC=1)N=C(C(C)(C)C)N=C2Cl
Tpsa:
58.64
Logp:
2.7213
H Acceptors:
3
H Donors:
1
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: C₉H₁₇NO
Molecular Weight: 155.24
Synonyms: (5s,8r)-1-azaspiro[4.5]decan-8-ol
SMILES: OC1CCC2(NCCC2)CC1
Tpsa: 32.26
Logp: 1.0435
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:
C₉H₁₇NO
Molecular Weight:
155.24
Synonyms:
(5s,8r)-1-azaspiro[4.5]decan-8-ol
SMILES:
OC1CCC2(NCCC2)CC1
Tpsa:
32.26
Logp:
1.0435
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0