DL-노라드레날린

1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-

HCID 951CAS 138-65-8

기본 정보

표준 SMILES: NCC(O)c1ccc(O)c(O)c1
InChIKey: SFLSHLFXELFNJZ-UHFFFAOYSA-N
분자식: C8H11NO3
평균 분자량: 169.18 g/mol
단동위원소 질량: 169.07389321

개요

Noradrenaline is a catecholamine in which C-1 of the aminoethyl side-chain is hydroxy-substituted. It has a role as a human xenobiotic metabolite. It is a conjugate base of a noradrenaline(1+).

이름 및 식별자

우선 이름: 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-
IUPAC: 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol
현지명: DL-노라드레날린
영어명: DL-NORADRENALINE
분자식: C8H11NO3
분자량: 169.18

이름 및 동의어

1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-586-17-4RefChem:411258622-681-9138-65-84-(2-amino-1-hydroxyethyl)benzene-1,2-dioldl-Noradrenalinedl-Norepinephrinedl-Arterenol(+/-)-noradrenalineNSC 294898Norepinephrine, DL-

이름 더 보기

DL-노라드레날린(S)-2,3-dihydroxy-5-(1-hydroxy-2-(methylamino)ethyl)benzenesulfonic acid(+)-Norepinephrin(±)-NoradrenalineDopamine Impurity 7Dopamine Impurity 32

(+/-)-norepinephrineLevarterenol;L-Noradrenaline[3H]NEK294OAI79VNSC294898NSC-2948984-(2-amino-1-hydroxy-ethyl)benzene-1,2-diolNoradrenalin, dl-

데이터베이스 식별자

CAS: 138-65-8、586-17-4
PubChem CID: 951
DTXSID: DTXSID20858964
ChEMBL: CHEMBL432
ChEBI: CHEBI:33569
UNII: K294OAI79V
EC Number: 205-337-9、622-681-9
Nikkaji: J28.478E

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 86.7 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 142

실험 및 물리화학적 성질

DrugsPharmaceuticals

물리화학적 성질

녹는점: 190 °C · ~190 °C (dec.)
끓는 점: 298.46 °C · 298.46°C (rough estimate)
밀도: 1.2435 · 1.2435 (rough estimate)
굴절률: 1.51 · 1.5100 (estimate)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨, 초음파 처리), 메탄올(약간 용해됨, 가열, 초음파 처리)
산도 계수 (pKa): 9.57 · 9.57±0.10(Predicted)
물리적 상태: 고체
색상: 페일베이지부터 다크브라운까지
Merck: 6695 · 6695
안정성: 흡습성
InChI: InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
InChIKey: SFLSHLFXELFNJZ-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(C(O)CN)C=C1O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (13.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P301+P317, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 09-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22124

Hazard Classes and CategoriesAcute Tox. 3 (13.3%)

안전 데이터

wgk: 3
rtecs: DN6300000
ridadr: UN 2811
독성: LD50 ivn-rat: 130 mg/kg JPETAB 95,502,49
risk_code: 28-41-26/27/28
hazard_code: T+
safety_code: 28-36/37/39-45-36/37
위험 등급: IRRITANT
F 고인화성물질: 8-10-23

화학 및 산업

응용 분야

용도(±)-Noradrenaline is the neurotransmitter at most sympathetic neuroeffector junctions and has pharmacologic effects on both α1 and β1 adrenoceptors.