N-Acetylserotonin

HCID 178760682CAS 66521-40-2
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기본 정보

표준 SMILES
CC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIKey
MVAWJSIDNICKHF-UHFFFAOYSA-N
분자식
C12H14N2O2
평균 분자량
218.25 g/mol

개요

N-acetylserotonin is an N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid. It has a role as a tropomyosin-related kinase B receptor agonist, an antioxidant, a mouse metabolite and a human metabolite. It is a N-acylserotonin, a member of acetamides and a member of phenols.

이름 및 식별자

우선 이름
N-Acetylserotonin
IUPAC
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
영어명
[2H4]-N-Acetyl-5-hydroxytryptamine
분자식
C12H14N2O2
분자량
218.26

이름 및 동의어

N-acetylserotonin1210-83-9N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]acetamideNormelatoninO-DemethylmelatoninN-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)acetamideP4TO3C82WVDTXSID00153106CHEBI:17697N-acetylhydroxytryptamineRefChem:828919DTXCID3075597
이름 더 보기
N-Acetyl-5-hydroxytryptamine-[d4][2H4]-N-Acetyl-5-hydroxytryptamineN-Acetyl-5-Hydroxytryptamine-[D4] (Standard)
214-916-5N-Acetyl-5-hydroxytryptamineacetylserotoninN-ACETYL SEROTONIN5-Hydroxy-N-acetyltryptamine5-HydroxymelatoninAcetyl-5-hydroxy-tryptamineMFCD00005656

데이터베이스 식별자

CAS
66521-40-2
ChEMBL
CHEMBL33103
ChEBI
CHEBI:17697
UNII
P4TO3C82WV
EC Number
214-916-5
Nikkaji
J125.886I

물성

구조 계산 물성

XLogP
0.5
극성 표면적
65.1 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
16

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
Solubility>32.7 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionSolid
Collision Cross Section · 3건

148.65 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

153.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

150.6 Ų [M-H]-

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

화학 및 산업

약리 정보

Metabolism/MetabolitesN-Acetyl-5-hydroxytryptamine has known human metabolites that include (2S,3S,4S,5R)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid and 3-(2-Acetamidoethyl)-1H-indol-5-yl hydrogen sulfate.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysTryptophan metabolism

공급사4 곳

玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
曼哈格（上海）生物科技有限公司400-818 0104 18918165978 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]

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