Eptastigmine , CAS No.101246-68-8

CAS: 101246-68-8 Cat. No.: E667934 분자식: C21H33N3O2 분자량: 359.5 PubChem CID: 65872
주문 가능
Synonyms
Eptastigmine | Eptastigmine [INN] | N-Demethyl-N-heptylphysostigmine | 6PZZ52D76Q | heptastigmine | Heptylphysostigmine | Physostigmine heptyl | Eptastigmina | Eptastigminum | (-)-Heptylphysostigmine | Eptastigminum [INN-Latin] | Eptastigmina [INN-Spanish
Storage
Room temperature
★
크기
USA
독일 (EU)*
가격
수량
1mg
E667934-1mg
주문제작 · 8~12주

US$571.90

US$857.90
저장 US$286.00 (33.34%)
5mg
E667934-5mg
주문제작 · 8~12주

US$1,999.90

US$2,999.90
저장 US$1,000.00 (33.33%)
Enter a quantity for the sizes you want to add.
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이 등급을 선택하는 이유

최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.

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보관 및 배송

Room temperature 출고. 정확한 사양은 로트별 COA를 확인하세요.

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품질 문서

SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.

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문헌적 근거

크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.

사양

동의어
Eptastigmine | Eptastigmine [INN] | N-Demethyl-N-heptylphysostigmine | 6PZZ52D76Q | heptastigmine | Heptylphysostigmine | Physostigmine heptyl | Eptastigmina | Eptastigminum | (-)-Heptylphysostigmine | Eptastigminum [INN-Latin] | Eptastigmina [INN-Spanish
보관 조건
Room temperature
제품 특성
ALogP
3.6
이름과 식별자
정식 스마일
CCCCCCCNC(=O)OC1=CC2=C(C=C1)N(C3C2(CCN3C)C)C
IUPAC Name
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-heptylcarbamate
InChIKey
RRGMXBQMCUKRLH-CTNGQTDRSA-N
INCHI
1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
이성체 SMILES
CCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CCN3C)C)C
PubChem CID
65872
분자량
359.5

문서

📋 안전 데이터 시트(SDS)

위험성, 취급, 보관 및 규제 준수를 포괄하는 종합 문서.

<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3

✅ 분석 성적서(COA)

로트별 품질 데이터. 로트 번호를 입력하여 정확한 COA를 확인하세요.

COA 조회 →

📊 데이터시트

제품 사양 및 응용 분야에 대한 빠른 참조 요약.

데이터시트 보기 →

🔬 사양서

이 등급의 전체 품질 특성 및 합격 기준.

사양서 보기 →

고급 데이터

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
분류Indoles and derivatives
SubclassPyrroloindoles
Intermediate Tree Nodes Not available
Direct ParentPyrroloindoles
Alternative Parents Indoles  Dialkylarylamines  N-alkylpyrrolidines  Benzenoids  Pyrroles  Carbamate esters  Organic carbonic acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrroloindole - Indole - Dialkylarylamine - Benzenoid - N-alkylpyrrolidine - Pyrrole - Pyrrolidine - Carbamic acid ester - Carbonic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
ACHE Tclin Acetylcholinesterase (12 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BCHE Tclin Cholinesterase (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량359.500 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass359.257 Da
Monoisotopic Mass359.257 Da
Topological Polar Surface Area44.800 Ų
Heavy Atom Count26
Formal Charge0
Complexity486.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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