그라민-알파,ALPHA-D2

Gramine

HCID 178756804CAS 95415-84-2
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기본 정보

표준 SMILES
CN(C)Cc1c[nH]c2ccccc12
InChIKey
OCDGBSUVYYVKQZ-UHFFFAOYSA-N
분자식
C11H14N2
평균 분자량
174.24 g/mol

개요

Gramine is an aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3. It has a role as an antiviral agent, an antibacterial agent, a serotonergic antagonist and a plant metabolite. It is an aminoalkylindole, an indole alkaloid and a tertiary amino compound. It is a conjugate base of a gramine(1+).

이름 및 식별자

우선 이름
Gramine
IUPAC
1-(1H-indol-3-yl)-N,N-dimethylmethanamine
현지명
그라민-알파,ALPHA-D2
영어명
GRAMINE-ALPHA,ALPHA-D2
분자식
C11H14N2
분자량
174.25

이름 및 동의어

Gramine87-52-53-(Dimethylaminomethyl)indoleDonaxineDonaxinGramin1-(1H-indol-3-yl)-N,N-dimethylmethanamine1H-Indole-3-methanamine, N,N-dimethyl-beta-DimethylaminomethylindoleN,N-Dimethyl-1H-indole-3-methanamine3-(N,N-Dimethylaminomethyl)indole(1H-indol-3-ylmethyl)dimethylamine
이름 더 보기
그라민-알파,ALPHA-D2GraMine-a,a-d2Gramine-α,α-D2GRAMINE-ALPHA,ALPHA-D21,1-dideuterio-1-(1H-indol-3-yl)-N,N-dimethylmethanamine
3-[(Dimethylamino)methyl]indoleN,N-Dimethyl-1H-indole-3-methylamineFGQ8A78L14DTXSID3058955NSC-16892CHEBI:289483-((DIMETHYLAMINO)METHYL)INDOLE3-[Dimethylaminomethyl]indole

데이터베이스 식별자

CAS
95415-84-2
ChEMBL
CHEMBL254348
ChEBI
CHEBI:28948
UNII
FGQ8A78L14
EC Number
201-749-8
Nikkaji
J10.618F

물성

구조 계산 물성

XLogP
1.8
극성 표면적
19 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
13

실험 및 물리화학적 성질

Melting Point138 - 139 °C
Physical DescriptionSolid
Collision Cross Section · 2건

138.42 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

134.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (93.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 32 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information1H-Indole-3-methanamine, N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (93.8%)

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

General Manufacturing Information1H-Indole-3-methanamine, N,N-dimethyl-: ACTIVE

응용 분야

용도Gramine-alpha,alpha-d2 (CAS# 95415-84-2) is a useful isotopically labeled research compound.

공급사5 곳

盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海葑菲医药科技有限公司+8618221552033 · [email protected]

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