レボドロプロピジン

Levodropropizine

HCID 65859CAS 99291-25-5

基本情報

標準SMILES: OC[C@@H](O)CN1CCN(c2ccccc2)CC1
InChIKey: PTVWPYVOOKLBCG-ZDUSSCGKSA-N
分子式: C13H20N2O2
平均分子量: 236.31 g/mol
単同位体質量: 236.15247788

概要

Levodropropizine is a member of the class of N-arylpiperazines that is N-phenylpiperazine in which the amino hydrogen is replaced by a 2,3-dihydroxypropyl group (the S-enantiomer). A peripherally acting antitussive drug that is used as an alternative to opioids. It has a role as an antitussive. It is a secondary alcohol, a N-alkylpiperazine and a N-arylpiperazine.

名称と識別子

優先名称: Levodropropizine
IUPAC: (2S)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol
現地名: レボドロプロピジン
英語名: Levodropropizine
分子式: C13H20N2O2
分子量: 236.31

名称と別名

Levodropropizine99291-25-5LevotussDanka(-)-DropropizineLevdropropizine(S)-(-)-DropropizineRapituxLevodropropizinaLevodropropizinumLevoprontL-dropropizine

名称をさらに表示

(S)-(-)-ドロプロピジンレボドロプロピジンLVDPDF-526LevodropizinelivodropropizineLevodropropazine.

Dropropizine, (s)-3O31P6T4G3(-)-(S)-3-(4-Phenyl-1-piperazinyl)-1,2-propanediolDTXSID8023210CHEBI:82722Levdropropizinadipropizine, (S)-RefChem:153202

データベース識別子

CAS: 99291-25-5
PubChem CID: 65859
DTXSID: DTXSID8023210
ChEMBL: CHEMBL1288810
ChEBI: CHEBI:82722
UNII: 3O31P6T4G3
EC Number: 640-087-8
Nikkaji: J276.144K

物性

構造計算による物性

XLogP: 0.6
極性表面積: 46.9 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 211

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

物理化学的性質

融点: 98 · 98-100°C
沸点: 412.7 · 412.7±34.0 °C(Predicted)
比重(密度): 1.168 · 1.168±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: 96 · 水に溶けにくく、希酢酸、メタノールに溶けやすく、エタノール（96％）に溶けにくい。
酸解離定数(Pka): 14.21 · 14.21±0.20(Predicted)
外見: Solid
色: White to Almost white
主な用途: 医薬品（低分子化合物）
InChI: InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m0/s1
InChIKey: PTVWPYVOOKLBCG-ZDUSSCGKSA-N
SMILES: C(O)[C@@H](O)CN1CCN(C2=CC=CC=C2)CC1
CAS データベース: 99291 · 99291-25-5(CAS DataBase Reference)

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: WGK 3
hs_code: 2933.59.5300
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

ATC Code · 3 件

R05DB27

R - Respiratory system

QR - Respiratory system

MeSH Pharmacological ClassificationAgents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

上海策嵘生物科技有限公司[email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

補足説明 · 1 件

定義ChEBI: A member of the class of N-arylpiperazines that is N-phenylpiperazine in which the amino hydrogen is replaced by a 2,3-dihydroxypropyl group (the S-enantiomer). A peripherally acting antitussive drug t at is used as an alternative to opioids.