CS-0492964
((6aR,9R,10aS)-10a-Methoxy-4,7-dimethyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl 5-chloronicotinate Nicergoline Impurity
Manufacturer: ChemScene
CAS Number: 38536-28-6
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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
C₂₄H₂₆ClN₃O₃
Molecular Weight
439.93
Synonyms
Chloronicergoline
SMILES
CN1C[C@H](COC(C2=CC(Cl)=CN=C2)=O)C[C@]([C@@]1([H])CC3=CN4C)(OC)C5=C3C4=CC=C5
Tpsa
56.59
Logp
3.8018
H Acceptors
6
H Donors
0
Rotatable Bonds
4
Related Products
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: C₂₄H₂₆ClN₃O₃
Molecular Weight: 439.93
Synonyms: Chloronicergoline
SMILES: CN1C[C@H](COC(C2=CC(Cl)=CN=C2)=O)C[C@]([C@@]1([H])CC3=CN4C)(OC)C5=C3C4=CC=C5
Tpsa: 56.59
Logp: 3.8018
H Acceptors: 6
H Donors: 0
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:
C₂₄H₂₆ClN₃O₃
Molecular Weight:
439.93
Synonyms:
Chloronicergoline
SMILES:
CN1C[C@H](COC(C2=CC(Cl)=CN=C2)=O)C[C@]([C@@]1([H])CC3=CN4C)(OC)C5=C3C4=CC=C5
Tpsa:
56.59
Logp:
3.8018
H Acceptors:
6
H Donors:
0
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: C₁₁H₁₆O₅S
Molecular Weight: 260.31
Synonyms: 1,3-Propanediol, 2-(hydroxymethyl)-, 1-(4-methylbenzenesulfonate)
SMILES: OCC(CO)COS(=O)(=O)C1=CC=C(C)C=C1
Tpsa: 83.83
Logp: 0.30112
H Acceptors: 5
H Donors: 2
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:
C₁₁H₁₆O₅S
Molecular Weight:
260.31
Synonyms:
1,3-Propanediol, 2-(hydroxymethyl)-, 1-(4-methylbenzenesulfonate)
SMILES:
OCC(CO)COS(=O)(=O)C1=CC=C(C)C=C1
Tpsa:
83.83
Logp:
0.30112
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: MFCD22381711
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₃NO₂
Molecular Weight: 131.17
Synonyms: None
SMILES: OCC(CO)C1CNC1
Tpsa: 52.49
Logp: -1.1934
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD22381711
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₃NO₂
Molecular Weight:
131.17
Synonyms:
None
SMILES:
OCC(CO)C1CNC1
Tpsa:
52.49
Logp:
-1.1934
H Acceptors:
3
H Donors:
3
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: C₁₀H₁₇NO₄
Molecular Weight: 215.25
Synonyms: None
SMILES: CCOC(=O)C(C(=O)OCC)C1CNC1
Tpsa: 64.63
Logp: -0.0518
H Acceptors: 5
H Donors: 1
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:
C₁₀H₁₇NO₄
Molecular Weight:
215.25
Synonyms:
None
SMILES:
CCOC(=O)C(C(=O)OCC)C1CNC1
Tpsa:
64.63
Logp:
-0.0518
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
5