기본 정보
- 표준 SMILES
CCNC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C(C)=O)C[C@H]2N(C)C1- InChIKey
UKRWCEJTOPSTEC-RDTXWAMCSA-N- 분자식
- C20H23N3O2
- 평균 분자량
- 337.4 g/mol
- 단동위원소 질량
- 337.17902698
이름 및 식별자
- 우선 이름
- Ergoline-8-beta-carboxamide, 1-acetyl-9,10-didehydro-N-ethyl-6-methyl-
- IUPAC
- (6aR,9R)-4-acetyl-N-ethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
- 현지명
- 1-아세틸-9,10-디데히드로-N-에틸-6-메틸에르골린-8β-카르복스아미드
- 영어명
- 1-Acetyl-9,10-didehydro-N-ethyl-6-methylergoline-8β-carboxamide
- 분자식
- C20H23N3O2
- 분자량
- 337.42
이름 및 동의어
50485-03-5Ergoline-8-beta-carboxamide, 1-acetyl-9,10-didehydro-N-ethyl-6-methyl-DTXSID90198506RefChem:1084197DTXCID801209971-Acetyllysergic acid ethylamide(6aR,9R)-4-acetyl-N-ethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamideALA-10BRN 0051958d-1-Acetyl lysergic acid monoethylamideAla101-acetyl-9,10-didehydro-n-ethyl-6-methylergoline-8beta-carboxamide
이름 더 보기
1-아세틸-9,10-디데히드로-N-에틸-6-메틸에르골린-8β-카르복스아미드1-Acetyl-9,10-didehydro-N-ethyl-6-methylergoline-8β-carboxamide1-acetyl-6-methyl-9,10-didehydro-ergoline-8β-carboxylic acid ethylamideErgoline-8-carboxamide, 1-acetyl-9,10-didehydro-N-ethyl-6-methyl-, (8β)-
1-Acetyl-9,10-didehydro-N-ethyl-6-methylergoline-8-beta-carboxamideSCHEMBL29425351UKRWCEJTOPSTEC-RDTXWAMCSA-NDB-2502591-Acetyl-N-ethyl-6-methyl-9,10-didehydroergoline-8beta-carboxamide
데이터베이스 식별자
- CAS
50485-03-5- PubChem CID
- 3039342
- DTXSID
DTXSID90198506- Nikkaji
- J71.362G
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 54.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 602
물리화학적 성질
- 녹는점
- 220 · 220-223 °C
- 끓는 점
- 473.72 °C · 473.72°C (rough estimate)
- 밀도
- 1.1676 · 1.1676 (rough estimate)
- 굴절률
- 1.62 · 1.6200 (estimate)
- 산도 계수 (pKa)
- 15.4 · 15.40±0.20(Predicted)
관련 반응
1건
연결된 노트
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