基本情報
- CAS
653-03-2- 標準SMILES
CCCC(=O)c1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2- InChIKey
DVLBYTMYSMAKHP-UHFFFAOYSA-N- 分子式
- C24H31N3OS
- 平均分子量
- 409.6 g/mol
- 単同位体質量
- 409.21878379
概要
Butaperazine is a member of phenothiazines.
名称と識別子
- 優先名称
- Butaperazine
- IUPAC
- 1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one
- 現地名
- ブタペラジン
- 英語名
- butaperazine
- 分子式
- C24H31N3OS
- 分子量
- 409.59
名称と別名
BUTAPERAZINEButyrylperazine653-03-2MegalectilRandolectilEmerexRepoiseRiker 595Bayer 1362ButyrylyperazinePerazine, butyryl-Perazine, (1-oxobutyl)-
名称をさらに表示
1-[10-[3-(4-メチルピペラジン-1-イル)プロピル]-10H-フェノチアジン-2-イル]-1-ブタノン1-[10-[3-(4-メチル-1-ピペラジニル)プロピル]-10H-フェノチアジン-2-イル]-1-ブタノンブタペラジン1-{10-[3-(4-メチルピペラジン-1-イル)プロピル]-10H-フェノチアジン-2-イル}ブタン-1-オンButaperazina1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one1-[10-[3-(4-Methyl-1-piperazinyl)propyl]-10H-phenothiazin-2-yl]-1-butanone1-Butanone, 1-[10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazin-2-yl]-
AHR-712AHR 712AHR-3000RIKER-595BAYER-13621-Butanone, 1-(10-(3-(4-methyl-1-piperazinyl)propyl)-10H-phenothiazin-2-yl)-TXP4T9106S1-(10-(3-(4-Methyl-1-piperazinyl)propyl)phenothiazin-2-yl)-1-butanone
データベース識別子
- CAS
653-03-2
物性
構造計算による物性
- XLogP
- 5
- 極性表面積
- 52.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 7
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 536
実験および物理化学的性質
LogP4.83
Solubility
1 G IN 400 ML WATER; SOL IN DIMETHYLFORMAMIDE; SPARINGLY SOL IN ALCOHOL & METHANOL; INSOL IN ACETONE, CHLOROFORM, & ETHER /MALEATE/
SOL OF THE FREE BASE IN ARTIFICIAL INTESTINAL JUICE WAS 283 MG/100 ML AT PH 6, DECR TO 4.9 MG/100 ML AT PH 8
Human DrugsPharmaceuticals
Boiling Point270-280 °C @ 0.05 mm Hg
Melting PointMP: 180-182 °C /Maleate/
Stability/Shelf LifeUNSTABLE IN LIGHT (SUBJECT TO OXIDATIVE DEGRADATION) & EXCESSIVE HEAT /MALEATE/
Other Experimental Properties
PRACTICALLY ODORLESS & HAS MODERATELY BITTER TASTE, NOT APPRECIABLY HYGROSCOPIC /MALEATE/
BRIGHT-YELLOW POWDER /MALEATE/
Crystals from carbon tetrachloride /Maleate/
物理化学的性質
- 沸点
- 0.05 · bp0.05 270-280°
- 比重(密度)
- 1.138 · 1.138±0.06 g/cm3(Predicted)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
FDA Requirements
Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).
安全と保護具
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
毒性情報
Interactions
THE PHENOTHIAZINES WITH LOW POTENCY...MARKEDLY AFFECT THE ACTIONS OF A NUMBER OF OTHER DRUGS, & COGNIZANCE MUST BE TAKEN OF THIS FACT. ... PATIENTS SHOULD ALSO BE WARNED TO EXPECT ENHANCEMENT OF THE EFFECTS OF ALCOHOL. ...THE PHENOTHIAZINES CAN PROMOTE HYPOTENSION, POSSIBLY DUE TO THEIR ALPHA-ADRENERGIC BLOCKING PROPERTIES. THUS, THE INTERACTION BETWEEN PHENOTHIAZINE AND ANTIHYPERTENSIVES CAN BE QUITE UNPREDICTABLE.
...CONTRAINDICATED IN COMATOSE PT WHO HAVE RECEIVED LARGE AMT OF CENTRAL NERVOUS SYSTEM DEPRESSANT DRUGS (...BARBITURATES, NARCOTICS, ETC)... /PHENOTHIAZINES/
ROUTINE ADMIN OF ANTIPARKINSONISM AGENTS SHOULD BE AVOIDED WITH MOST ANTIPSYCHOTIC DRUG REGIMENS. /PHENOTHIAZINES/
...PHENOTHIAZINES...MAY PRODUCE ADDITIVE HYPOTENSIVE EFFECTS WITH PROPRANOLOL. /PHENOTHIAZINES/
For more Interactions (Complete) data for BUTAPERAZINE (37 total), please visit the HSDB record page.
Milk ConcentrationsPHENOTHIAZINES ... MAY APPEAR IN MILK OF NURSING MOTHERS... /PHENOTHIAZINES, HUMAN, ORAL, IM/
Non-Human Toxicity Excerpts
化学と産業
薬理情報
ATC Code
N - Nervous system
QN - Nervous system
Mechanism of Action
THERE IS AN ADENYLATE CYCLASE IN LIMBIC SYSTEM, AS WELL AS IN CAUDATE NUCLEUS, THAT IS SPECIFICALLY ACTIVATED BY DOPAMINE. ...ACTIVATION OF...ENZYME IS... BLOCKED BY...PHENOTHIAZINES. ...THERAPEUTIC EFFICACY & SIDE EFFECTS MAY RELATE TO INHIBITION OF DOPAMINE ACTIVATION OF ADENYLATE CYCLASE. /PHENOTHIAZINES/
...PHENOTHIAZINES, BLOCK DOPAMINE RECEPTORS & INCR TURNOVER RATE OF DOPAMINE IN CORPUS STRIATUM. INCR TURNOVER RATE IS BELIEVED TO BE RESULT OF NEURONAL FEEDBACK MECHANISM. ...FIRING OF.../IDENTIFIED DOPAMINERGIC NEURONS IN SUBSTANTIA NIGRA & VENTRAL TEGMENTAL AREAS/ IS INCR BY ANTIPSYCHOTIC PHENOTHIAZINES. /PHENOTHIAZINES/
Biological Half-LifeBUTAPERAZINE (10-60 MG ORALLY) HAD AVG PEAK SERUM LEVELS OF 215 NG/ML IN HUMANS AND AN INITIAL RAPID PHASE HALF-LIFE OF 4 HR AND A SLOWER PHASE HALF-LIFE OF 12 HR. SERUM BUTAPERAZINE LEVELS WERE PROPORTIONAL TO THE DOSE ADMINISTERED.
Metabolism/Metabolites
AFTER CHRONIC ADMIN OF PIPERAZINE-SUBSTITUTED PHENOTHIAZINE DRUGS...TO RATS, TISSUES CONTAINED DRUG METABOLITES, IN WHICH PIPERAZINE RING FISSION BY MULTIPLE OXIDATIVE N-DEALKYLATION HAD OCCURRED TO GIVE SUBSTITUTED ETHYLENEDIAMINE. /PIPERAZINE PHENOTHIAZINES/
IN RATS & DOGS, PRINCIPAL FECAL METABOLITES OF BUTAPERAZINE DIMALEATE RESULT FROM HYDROXYLATION OF PHENOTHIAZINE RING-SYSTEM & OXIDATIVE N-DEMETHYLATION. BUTAPERAZINE SULFOXIDE, BUTAPERAZINE SULFONE, & REDN PRODUCT OF BUTYRYL SIDE-CHAIN CARBONYL GROUP MAKE UP MINOR METABOLITES. /DIMALEATE/
Absorption, Distribution and Excretion
NEUROLEPTIC CONCN-THERAPEUTIC RESPONSE CURVES EXAMINED FOR BUTAPERAZINE IN 10 SCHIZOPHRENIC PT DURING FIRST 12 DAYS OF TREATMENT. RESULTS SHOWED BUTAPERAZINE BOUND TO RED BLOOD CELLS WAS MORE STRONGLY CORRELATED WITH THERAPEUTIC RESPONSE THAN WAS PLASMA CONCN.
IN A STUDY ON 2 GROUPS OF NONRESPONDING SCHIZOPHRENICS AND ONE GROUP OF CLINICALLY RESPONDING PT WITH AFFECTIVE DISORDERS, THE NONRESPONDERS HAD 2 TO 7 TIMES LOWER LEVELS OF BUTAPERAZINE, 40 MG TWICE DAILY, IN PLASMA AND RED BLOOD CELLS AFTER A SINGLE DOSE OR CHRONIC DOSING.
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…