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(±) -Butaclamol (hydrochloride)

CAT: 0804-HY-B1573ASize: 1 EachDry Ice: NoHazardous: No
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Description
(±) -Butaclamol hydrochloride (AY-23,028) is the antagonist for adrenergic receptor and dopamine receptor. (±) -Butaclamol hydrochloride antagonizes amphetamine or Apomorphine -induced stereotyped behaviors and emesis, inhibits discriminative avoidance behavior, and induces catalepsy in rats models[1].
CAS Number
36504-94-6
Product Name Alternative
AY-23,028; dl-Butaclamol hydrochloride
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Adrenergic Receptor; Dopamine Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Smiles
CC(C)(C)[C@](CC1)(O)C[C@](N1C2)([H])C3=CC=CC4=C3[C@@]2([H])C5=CC=CC=C5CC4.Cl
Molecular Formula
C25H32ClNO
Molecular Weight
397.98
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Voith K, et al., The behavioral pharmacology of butaclamol hydrochloride (AY-23,028), a new potent neuroleptic drug. Psychopharmacologia. 1975 Apr 30;42 (1) :11-20.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Butaclamol Hydrochloride

See also: Butaclamol (has active moiety).

CAS Number36504-94-6
PubChem CID37460
IUPAC Name(1R,6R,8R)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol;hydrochloride
Molecular FormulaC25H32ClNO
Molecular Weight398.0
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity553
SMILES
CC(C)(C)[C@]1(CCN2C[C@@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@H]2C1)O.Cl
InChI
InChI=1S/C25H31NO.ClH/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25;/h4-10,21-22,27H,11-16H2,1-3H3;1H/t21-,22-,25-;/m1./s1
InChIKey
QZRUMKUMFJJARD-OMMJFLKZSA-N
Chemical Structure
2D Structure
2D structure of Butaclamol Hydrochloride
CAS: 36504-94-6
CID: 37460
Formula: C25H32ClNO
MW: 398.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight398.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass397.2172423
Monoisotopic Mass397.2172423
Topological Polar Surface Area23.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes