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Butaclamol Hydrochloride

HCID 37460
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
36504-94-6
Standard SMILES
CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1.Cl
InChIKey
QZRUMKUMFJJARD-OMMJFLKZSA-N
Molecular formula
C25H32ClNO
Average molar mass
398 g/mol
Monoisotopic mass
397.2172423

Overview

See also: Butaclamol (has active moiety).

Names & identifiers

Preferred name
Butaclamol Hydrochloride
IUPAC
(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
English name
(+/-)-BUTACLAMOL HCL
Molecular formula
C25H31NO.ClH
Molecular weight
397.987

Names & synonyms

BUTACLAMOL HYDROCHLORIDEButaclamol HCl36504-94-6AY 23028DTXSID00457578TUG8SF12TAY-23,028DTXCID30820374AY 23,028AY-23028Hydrochloride, ButaclamolRefChem:121965
Show more names
(1F3)(8D11)IκB-alphaay23028B-εb-beta)-(+-)-phosphorylated (T19)phosphorylated (S23)phosphorylated (S22)
AY23,028(-)-Butaclamol hydrochloride55528-08-0Butaclamol hydrochloride [USAN](+/-)-Butaclamol hydrochlorideButaclamol hydrochloride (USAN)(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;hydrochloridel-Butaclamol Hydrochloride

Database identifiers

CAS
36504-94-6
PubChem CID
37460
DTXSID
DTXSID0045757
ChEMBL
CHEMBL1256753
UNII
8TUG8SF12T

Properties

Computed structural properties

Topological polar surface area
23.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
28
Formal charge
0
Complexity
553

Physicochemical properties

FDA UNII
8 TUG8SF12T · 8TUG8SF12T
WGK Germany
3 · 3
RTECS
8039700 · DE8039700

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk
3
rtecs
DE8039700

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.

Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME.

Applications

UsesAntipsychotic.

Suppliers7 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]

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Compound notes

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