CAS 3613-73-8 Latrepirdine (HCID 197033)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3613-73-8
표준 SMILES: Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1
InChIKey: JNODQFNWMXFMEV-UHFFFAOYSA-N
분자식: C21H25N3
평균 분자량: 319.4 g/mol
단동위원소 질량: 319.20484781

개요

Latrepirdine is a member of methylpyridines and a pyridoindole. It has a role as a geroprotector.

이름 및 식별자

우선 이름: Latrepirdine
IUPAC: 2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
영어명: dimebolin
분자식: C21H25N3
분자량: 319.44

이름 및 동의어

DimebolinLatrepirdine3613-73-8DimebonDimeboneLatrepirdinaOD9237K1Z6PF-01913539DTXSID201897052,3,4,5-Tetrahydro-2,8-dimethyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1H-pyrido(4,3-b)indole2,3,4,5-tetrahydro-2,8-dimethyl-5-[2-(6-methyl-3-pyridyl)ethyl]-1H-pyrido[4,3-b]indolelatrepirdinum

이름 더 보기

CS-151Brn 0622478Preparation-84DiMebon (latrepirdine)Dimebolin Exclusive

RefChem:798539DTXCID401121962,3,4,5-Tetrahydro-2,8-dimethyl-5-(2-(6-methyl-3-pyridyl)-ethyl)-1H-pyrid(4,3b)indolePF1913539PF019135395-(2-(2,8-dimethyl-1H,2H,3H,4H,5H-pyrido(4,3-b)indol-5-yl)ethyl)-2-methylpyridineDimeboline2,8-Dimethyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

데이터베이스 식별자

CAS: 3613-73-8
PubChem CID: 197033
DTXSID: DTXSID20189705
ChEMBL: CHEMBL589390

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 21.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 24
형식 전하: 0
복잡도: 425

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

LogP2.53

물리화학적 성질

녹는점: 115 · 115-116 °C
끓는 점: 448.46 °C · 448.46°C (rough estimate)
밀도: 1.13 · 1.13
굴절률: 1.638 · 1.6380 (estimate)
저장 조건: -20 °C · Store at -20°C
용해도: 30 mg/ml · ≤30mg/ml in ethanol;1mg/ml in DMSO;3mg/ml in dimethyl formamide
물리적 상태: 결정질 고체
산도 계수 (pKa): 9.05 · 9.05±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (56.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.