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42021-34-1,MFCD00868391
Catalog No.:AA00C9HP

42021-34-1 | (±)-1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2'

Pack Size
Purity
Availability
Price(USD)
Quantity
  
2.5mg
3 weeks  
$403.00   $282.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C9HP
Chemical Name:
(±)-1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2'
CAS Number:
42021-34-1
Molecular Formula:
C24H26FN3O
Molecular Weight:
391.4811
MDL Number:
MFCD00868391
SMILES:
Fc1ccc(cc1)C(=O)CCCN1CCN2C(C1)Cc1c(C2)[nH]c2c1cccc2
NSC Number:
143691
Properties
Computed Properties
 
Complexity:
579  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Literature

Title: Rational design, synthesis and evaluation of (6aR( *),11bS( *))-1-(4-fluorophenyl)-4-{7-[4-(4-fluorophenyl)-4-oxobutyl]1,2,3,4,6,6a,7,11b,12,12a(RS)-decahydropyrazino[2',1':6,1]pyrido[3,4-b]indol-2-yl}-butan-1-one as a potential neuroleptic agent.

Journal: Bioorganic & medicinal chemistry 20071201

Title: Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach.

Journal: Journal of medicinal chemistry 20031009

Title: Metabolism and excretion of centbutindole (neuroleptic) in rats after oral administration.

Journal: The Journal of pharmacy and pharmacology 20021201

Title: Effect of dopamine agonists and antagonists on the lorazepam withdrawal syndrome in rats.

Journal: Clinical and experimental pharmacology & physiology 20000301

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1206984-63-5
Tags:42021-34-1 Molecular Formula|42021-34-1 MDL|42021-34-1 SMILES|42021-34-1 (±)-1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2'
Catalog No.: AA00C9HP
42021-34-1,MFCD00868391
42021-34-1 | (±)-1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2'
Pack Size： 2.5mg
Purity：
3 weeks
$403.00 $282.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00C9HP
Chemical Name: (±)-1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2'
CAS Number: 42021-34-1
Molecular Formula: C24H26FN3O
Molecular Weight: 391.4811
MDL Number: MFCD00868391
SMILES: Fc1ccc(cc1)C(=O)CCCN1CCN2C(C1)Cc1c(C2)[nH]c2c1cccc2
NSC Number: 143691
Properties
Complexity: 579  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 29  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Literature fold

Title: Rational design, synthesis and evaluation of (6aR( *),11bS( *))-1-(4-fluorophenyl)-4-{7-[4-(4-fluorophenyl)-4-oxobutyl]1,2,3,4,6,6a,7,11b,12,12a(RS)-decahydropyrazino[2',1':6,1]pyrido[3,4-b]indol-2-yl}-butan-1-one as a potential neuroleptic agent.

Journal: Bioorganic & medicinal chemistry20071201

Title: Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach.

Journal: Journal of medicinal chemistry20031009

Title: Metabolism and excretion of centbutindole (neuroleptic) in rats after oral administration.

Journal: The Journal of pharmacy and pharmacology20021201

Title: Effect of dopamine agonists and antagonists on the lorazepam withdrawal syndrome in rats.

Journal: Clinical and experimental pharmacology & physiology20000301

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