다이하이드록시인돌

5,6-Dihydroxyindole

HCID 114683CAS 3131-52-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Oc1cc2cc[nH]c2cc1O
InChIKey
SGNZYJXNUURYCH-UHFFFAOYSA-N
분자식
C8H7NO2
평균 분자량
149.15 g/mol
단동위원소 질량
149.04767847

이름 및 식별자

우선 이름
5,6-Dihydroxyindole
IUPAC
1H-indole-5,6-diol
현지명
다이하이드록시인돌
영어명
5,6-DIHYDROXYINDOLE
분자식
C8H7NO2
분자량
149.15

이름 및 동의어

5,6-Dihydroxyindole3131-52-01H-Indole-5,6-diolDopamine lutine3H-INDOLE-5,6-DIOLZ3OC8499KGIMEXINE OAYDTXSID20185242CHEBI:27404RefChem:587786CHEBI:23781DTXCID30107733
이름 더 보기
다이하이드록시인돌5,6-디히드록시인돌3IDJACS-3131-52-0Indol-5,6-diolINDOLE-5,6-DIOL5,6-DIYDROXYINDOLE5.6-Dihydroxy Indol
412-130-9DihydroxyindoleMFCD00798933dhi5,6-Dihydroxy-1H-indole5,6-dihydroxy indoleCHEMBL92636BDBM50028548

데이터베이스 식별자

CAS
3131-52-0
PubChem CID
114683
DTXSID
DTXSID20185242
ChEMBL
CHEMBL92636
ChEBI
CHEBI:27404
UNII
Z3OC8499KG
EC Number
412-130-9
Nikkaji
J434.158I

물성

구조 계산 물성

XLogP
1.3
극성 표면적
56.3 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
11

실험 및 물리화학적 성질

Physical DescriptionSolid

물리화학적 성질

녹는점
140 °C · 140 °C (decomp)
끓는 점
411.2 · 411.2±25.0 °C(Predicted)
밀도
1.51 · 1.510±0.06 g/cm3(Predicted)
저장 조건
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도
10 mg/ml; · DMF: 10 mg/ml; DMSO: 3 mg/ml; Ethanol: 10 mg/ml; Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
물리적 상태
고체

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)

Danger

유해성 정보

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2544
Hazard Classes and Categories · 3건

Acute Tox. 4 (100%)；Eye Dam. 1 (97.4%)；Aquatic Chronic 2 (97.4%)

Acute toxicity - category 4；Eye damage - category 1；Hazardous to the aquatic environment (chronic) - category 2

Acute Tox. 4 *；Eye Dam. 1；Aquatic Chronic 2

규제 정보

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2544

안전 데이터

wgk
WGK 3
HS 번호
2933998090
risk_code
22-41-51/53
hazard_code
Xn,N
safety_code
22-26-36/37/39-61
Hazard Classifications
Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1

화학 및 산업

약리 정보

Metabolism/MetabolitesDihyroxy-1H-indole has known human metabolites that include Dihyroxy-1H-indole glucuronide I.
MeSH Pharmacological Classification · 2건

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Compounds and drugs that inhibit or block the activity of CATECHOL O-METHYLTRANSFERASE enzymes. Drugs in this class are used in management of central nervous system disorders such as PARKINSON DISEASE.

Metabolite PathwaysAlkaptonuria；Disulfiram Action Pathway；Dopamine beta-hydroxylase deficiency；Hawkinsinuria；Monoamine oxidase-a deficiency (MAO-A)；Tyrosine metabolism；Tyrosinemia Type I；Tyrosinemia, transient, of the newborn

용도 및 제조

Use ClassificationCosmetics -> Hair dyeing
응용 분야 · 1건

개요5,6-Dihydroxyindole is a melanin precursor. It is one of the toxic compounds in the melanin biosynthetic pathway. 5,6-Dihydroxyindole is an indole derivative that contains two hydroxyl groups attached to the 5th and 6th positions of the indole ring. It is an intermediate in the biosynthesis of melanin, a pigment responsible for the coloration of hair, skin, and eyes in humans and other organisms.

상·하류 제품 정보

공급사50 곳

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
镇江中智化学科技有限公司0511-15050866711; 15050866711 · [email protected]

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