基本情報
- CAS
972-02-1- 標準SMILES
OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1- InChIKey
OGAKLTJNUQRZJU-UHFFFAOYSA-N- 分子式
- C21H27NO
- 平均分子量
- 309.4 g/mol
- 単同位体質量
- 309.20926449
概要
Diphenidol is a tertiary alcohol that is butan-1-ol substituted by two phenyl groups at position 1 and a piperidin-1-yl group at position 4. It has a role as an antiemetic. It is a member of benzenes, a member of piperidines and a tertiary alcohol.
名称と識別子
- 優先名称
- Diphenidol
- IUPAC
- 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol
- 現地名
- ジフェニドール
- 英語名
- Difenidol
- 分子式
- C21H27NO
- 分子量
- 309.45
名称と別名
DIPHENIDOLDifenidol972-02-1NometicAvomolDifenidoloDifenidolum1,1-Diphenyl-4-(piperidin-1-yl)butan-1-olalpha,alpha-Diphenyl-1-piperidinebutanolDiphenyl(3-(1-piperidyl)propyl)carbinolSKF 478SK&F 478
名称をさらに表示
ジフェナドールα,α-ジフェニル-1-ピペリジン-(1-ブタノール)1,1-ジフェニル-4-ピペリジノ-1-ブタノールセファドールノメチックα,α-ジフェニル-1-ピペリジン-1-ブタノールアボモールジフェニドール1,1-ジフェニル-4-ピペリジノブタン-1-オール1,1-ジフェニル-4-(1-ピペリジニル)-1-ブタノール1,1-ジフェニル-4-(ピペリジン-1-イル)ブタン-1-オールVontrolCephadolSK&F No. 478-ADifenidol USP/EP/BP1-Piperidinebutanol, α,α-diphenyl-
SK&F-478SK-478DTXSID3022950NQO8R319LYCHEBI:4638Benzhydrol, alpha-(3-piperidinopropyl)-1-Piperidinebutanol, alpha,alpha-diphenyl-DTXCID502950
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 23.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 6
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 307
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
LogP4.3
OdorODORLESS
TasteSLIGHTLY BITTER TASTE
Color/Form
NEEDLES FROM PETROLEUM ETHER
WHITE CRYSTALLINE POWDER
Solubility
CRYSTALS FROM CHLOROFORM + ETHYL ACETATE; FREELY SOL IN METHANOL; SOL IN WATER & CHLOROFORM; PRACTICALLY INSOL IN ETHER, BENZENE, & PETROLEUM ETHER /HCL/
FREELY SOL IN CHLOROFORM, ETHER & CYCLOHEXANE; SPARINGLY SOL IN ALC; INSOL IN WATER
5.87e-03 g/L
Melting Point
212-214
104-105 °C
Physical DescriptionSolid
Stability/Shelf LifeSTABLE IN LIGHT & AIR
物理化学的性質
- 融点
- 104 · 104-105°
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。
毒性情報
Human Toxicity Excerpts
...AUDITORY & VISUAL HALLUCINATIONS, DISORIENTATION, & CONFUSION HAVE BEEN REPORTED. OTHER UNTOWARD EFFECTS SUCH AS DROWSINESS, DRY MOUTH, DIZZINESS, SKIN RASH, HEARTBURN, HEADACHE, NAUSEA...MALAISE, ETC HAVE BEEN INFREQUENT & MINOR IN NATURE.
Non-Human Toxicity ExcerptsANIMAL EXPERIMENTS HAVE REVEALED NO EVIDENCE OF TERATOGENIC EFFECTS.
Non-Human Toxicity Values
LD50 MICE ORAL 430 MG/KG /HCL/
LD50 MICE INTRAPERITONEAL 105 MG/KG /HCL/
LD50 MICE INTRAVENOUS 37 MG/KG /HCL/
LD50 RATS ORAL 515 MG/KG /HCL/
For more Non-Human Toxicity Values (Complete) data for DIPHENIDOL (6 total), please visit the HSDB record page.
安全データ
- 毒性
- LD50 s.c. in rats: 50 mg/kg (Goldenthal)
- 有毒物質データの
- 972-02-1(Hazardous Substances Data)
化学と産業
薬理情報
PharmacodynamicsDiphenidol is used for control of nausea and vomiting. It has an antivertigo effect on the vestibular apparatus, inhibiting the chemoreceptor trigger zone to control nausea and vomiting, thus preventing motion sickness.
Mechanism of Action
The mechanism by which diphenidol exerts its antiemetic and antivertigo effects is not precisely known. It is thought to diminish vestibular stimulation and depress labyrinthine function and as an antimuscarinic agent. An action on the medullary chemoreceptive trigger zone may also be involved in the antiemetic effect. Diphenidol has no significant sedative, tranquilizing, or antihistaminic action. It has a weak peripheral anticholinergic effect.
EXPTL, IT HAS BEEN SHOWN TO EXHIBIT WEAK PARASYMPATHOLYTIC ACTIONS, BUT TO LACK SIGNIFICANT SEDATIVE, TRANQUILIZING, OR ANTIHISTAMINIC PROPERTIES.
.../DIPHENIDOL/ IS THOUGHT TO ACT UPON AURAL VESTIBULAR APPARATUS...
Biological Half-Life4 hours
Metabolism/MetabolitesIN DOGS & IN MAN, PRINCIPAL URINARY METABOLITE OF DIPHENIDOL...WAS N-(4,4-DIPHENYL-4-HYDROXYBUTYL)-DELTA-AMINOVALERIC ACID...(NOT LESS THAN 50% OF DOSE)... MINOR URINARY METABOLITES INCL A PHENOL...& A LACTAM...
FDA Pharmacological Classification
NQO8R319LY
DIPHENIDOL
Established Pharmacologic Class [EPC] - Antiemetic
Physiologic Effects [PE] - Emesis Suppression
Diphenidol is an Antiemetic. The physiologic effect of diphenidol is by means of Emesis Suppression.
MeSH Pharmacological ClassificationDrugs used to prevent NAUSEA or VOMITING.
Absorption, Distribution and ExcretionWell absorbed from gastrointestinal tract following oral administration.
Cellular LocationsMembrane
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…