기본 정보
- CAS
82499-00-1- 표준 SMILES
CCc1c(C(=O)OC)ncc2[nH]c3cc(OC)c(OC)cc3c12- InChIKey
GADIKQPUNWAMEB-UHFFFAOYSA-N- 분자식
- C17H18N2O4
- 평균 분자량
- 314.34 g/mol
- 단동위원소 질량
- 314.12665706
개요
4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester is a member of beta-carbolines.
이름 및 식별자
- 우선 이름
- methyl 4-ethyl-6,7-dimethoxy-9H-pyrido(3,4-b)indole-3-carboxylate
- IUPAC
- methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
- 현지명
- 메틸-6,7-다이메톡시-4-에틸-베타-카볼린-3-카복실레이트
- 영어명
- Methyl-6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
- 분자식
- C17H18N2O4
- 분자량
- 314.34
이름 및 동의어
82499-00-1Methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylatemethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate9H-Pyrido(3,4-b)indole-3-carboxylic acid, 4-ethyl-6,7-dimethoxy-, methyl ester1309288N1JDTXSID90896999Methyl 4-ethyl-6,7-dimethoxy-9H-pyrido(3,4-b)indole-3-carboxylateRefChem:157710DTXCID401326437DMCMCHEMBL17468Methyl 6,7-dimethoxy-4-ethyl-|A-carboline-3-carboxylate
이름 더 보기
메틸-6,7-다이메톡시-4-에틸-베타-카볼린-3-카복실레이트DMCM hydrochlorideMETHYL 6 7-DIMETHOXY-4-ETHYL-BETA-Methyl 6,7-dimethoxy-4-ethyl-β-carboline-3-carboxylatemethyl4-ethyl-6,7-dimethoxy-9h-pyrido(3,4-b)indole-3-carboxylate4-b)indole-3-carboxylicacid,4-ethyl-6,7-dimethoxy-9h-pyrido(methylester4-ethyl-6,7-dimethoxy-9h-pyrido(3,4-b)indole-3-carboxylicacid,methylester6,7-Dimethoxy-4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
UNII-1309288N1JLopac-E-007METHYL-6,7-DIMETHOXY-4-ETHYL-BETA-CARBOLINE-3-CARBOXYLATEBiomol-NT_0002494-Ethyl-6,7-dimethoxy-9H-pyrido(3,4-b)indole-3-carboxylic acid, methyl esterLopac0_000543SCHEMBL472510BPBio1_001013
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 73.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 433
물리화학적 성질
- 끓는 점
- 454.02 °C · 454.02°C (rough estimate)
- 밀도
- 1.1489 · 1.1489 (rough estimate)
- 굴절률
- 1.5486 · 1.5486 (estimate)
- 저장 조건
- Desiccate at RT
- 산도 계수 (pKa)
- 14.19 · 14.19±0.40(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, 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 CategoriesRepr. 2 (100%)
안전 데이터
- rtecs
- UU9780280
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.
응용 분야
용도DMCM is a member of a family of non-benzodiazepine GABAA receptor agonists.
공급사14 곳
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198 · [email protected]
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