Norpyridostigmine

HCID 98821

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기본 정보

CAS: 51581-32-9
표준 SMILES: CN(C)C(=O)Oc1cccnc1
InChIKey: VZELUFSMNDBCBO-UHFFFAOYSA-N
분자식: C8H10N2O2
평균 분자량: 166.18 g/mol
단동위원소 질량: 166.07422756

개요

structure given in first source

이름 및 식별자

우선 이름: Norpyridostigmine
IUPAC: pyridin-3-yl N,N-dimethylcarbamate
영어명: 3-Pyridyl dimethylcarbamate
분자식: C8H10N2O2
분자량: 166.18

이름 및 동의어

51581-32-9Norpyridostigmine49I1A7125LNSC-1683733-pyridinol dimethylcarbamateDTXSID10199535RO-1-5142RefChem:166682DTXCID70122026257-297-7pyridin-3-yl dimethylcarbamate3-Dimethylcarbamoyloxypyridine

이름 더 보기

PDMC3-Pyridyl dimethylcaNeostigmine Impurity 17Pyridostigmine Impurity 1Bromoprasidamine Impurity APyridostigmine EP Impurity APyridostigmine impurity A CRS

pyridin-3-yl N,N-dimethylcarbamate3-(N,N-Dimethylcarbamoyloxy)pyridine3-Pyridyl dimethylcarbamateCarbamic acid, dimethyl-, 3-pyridinyl esterpyridin-3-yldimethylcarbamate3-(N,N-Dimethylcarbamoyloxy) pyridine3-(Dimethylcarbamoyloxy)pyridine3-pyridyl N,N-dimethylcarbamate

데이터베이스 식별자

CAS: 51581-32-9
PubChem CID: 98821
DTXSID: DTXSID10199535
ChEMBL: CHEMBL2288686
UNII: 49I1A7125L
EC Number: 257-297-7
Nikkaji: J294.851F

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 42.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

끓는 점: 149 °C · 149 °C(Press: 15 Torr)
밀도: 1.153 · 1.153±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 3.83 · 3.83±0.10(Predicted)
주요 응용: 의약품(소분자)
InChI: 1S/C8H10N2O2/c1-10(2)8(11)12-7-4-3-5-9-6-7/h3-6H,1-2H3
InChIKey: VZELUFSMNDBCBO-UHFFFAOYSA-N
SMILES: N(C)(C)C(=O)Oc1cnccc1
LogP: 0.39 at · 0.39 at 20℃
NIST: 3 · Carbamic acid, dimethyl-, 3-pyridinyl ester(51581-32-9)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Danger

H300 (14.3%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 25-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21055

Hazard Classes and CategoriesAcute Tox. 2 (14.3%)

안전 데이터

wgk: WGK 1
ridadr: UN 2810 6.1 / PGIII
HS 번호: 2933399090
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects