기본 정보
- CAS
101246-68-8- 표준 SMILES
CCCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C- InChIKey
RRGMXBQMCUKRLH-CTNGQTDRSA-N- 분자식
- C21H33N3O2
- 평균 분자량
- 359.5 g/mol
- 단동위원소 질량
- 359.2572773
이름 및 식별자
- 우선 이름
- Eptastigmine
- IUPAC
- [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-heptylcarbamate
- 현지명
- 엡타스티그민
- 영어명
- Eptastigmine
- 분자식
- C21H33N3O2
- 분자량
- 359.51
이름 및 동의어
EptastigmineEptastigminaheptastigmineEptastigminumN-Demethyl-N-heptylphysostigmineHeptylphysostigmine101246-68-8Physostigmine heptyl6PZZ52D76QDTXSID801317905heptyl-physostigmineheptyl physostigmine
이름 더 보기
엡타스티그민L-693487Heptylcarbamic acid [(3aS,8aα)-1,2,3,3a,8,8a-hexahydro-1,3aα,8-trimethylpyrrolo[2,3-b]indol-5-yl] esterCarbamic acid, N-heptyl-, (3aS,8aR)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-yl ester
RefChem:921076DTXCID001747700pyrrolo(2,3-b)indol-5-ol-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl heptylcarbamate esterEptastigmine [INN](-)-HeptylphysostigmineEptastigminum [INN-Latin]Eptastigmina [INN-Spanish]UNII-6PZZ52D76Q
데이터베이스 식별자
- CAS
101246-68-8- PubChem CID
- 65872
- DTXSID
DTXSID801317905- ChEMBL
CHEMBL433041- UNII
- 6PZZ52D76Q
- Nikkaji
- J134.046H
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 44.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 486
물리화학적 성질
- 녹는점
- 60 · 60-64°
- 끓는 점
- 491.72 °C · 491.72°C (rough estimate)
- 밀도
- 1.0895 · 1.0895 (rough estimate)
- 굴절률
- 1.63 · 1.6300 (estimate)
- 산도 계수 (pKa)
- 12.29 · 12.29±0.46(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system.
공급사3 곳
LGM Pharma1-(800)-881-8210 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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