Levodropropizine

HCID 65859CAS 99291-25-5

기본 정보

표준 SMILES: OC[C@@H](O)CN1CCN(c2ccccc2)CC1
InChIKey: PTVWPYVOOKLBCG-ZDUSSCGKSA-N
분자식: C13H20N2O2
평균 분자량: 236.31 g/mol
단동위원소 질량: 236.15247788

개요

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.

이름 및 식별자

우선 이름: Levodropropizine
IUPAC: (2S)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol
영어명: Levodropropizine
분자식: C13H20N2O2
분자량: 236.31

이름 및 동의어

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

이름 더 보기

LVDPDF-526LevodropizinelivodropropizineLevodropropazine.

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 46.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 211

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점: 98 · 98-100°C
끓는 점: 412.7 · 412.7±34.0 °C(Predicted)
밀도: 1.168 · 1.168±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 물에 약간 용해되고, 묽은 아세트산과 메탄올에 잘 용해되며, 에탄올(96%)에는 약간 용해됩니다.
산도 계수 (pKa): 14.21 · 14.21±0.20(Predicted)
물리적 상태: Solid
색상: 흰색에서 거의 흰색
주요 응용: 의약품(소분자)
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

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2933.59.5300
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

ATC Code · 3건

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.

공급사50 곳

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]

추가 설명 · 1건

정의ChEBI: 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.

연결된 노트

불러오는 중…