기본 정보
- CAS
26685-57-4- 표준 SMILES
C#CCN1CCC2=C(C1)c1c(O)cc(C(C)C(C)CCCCC)cc1OC2(C)C- InChIKey
PNEYWTKVWJBOMD-UHFFFAOYSA-N- 분자식
- C26H37NO2
- 평균 분자량
- 395.6 g/mol
- 단동위원소 질량
- 395.28242942
개요
tetrahydropyridobenzopyran derived from cannabinoid nucleus; structure
이름 및 식별자
- 우선 이름
- 8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-(1)benzopyrano(4,3-c)pyridin-10-ol
- IUPAC
- 5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
- 현지명
- 임신특정베타1-당단백질
- 영어명
- PREGNANCY-SPECIFIC BETA 1-GLYCOPROTEIN
- 분자식
- C26H37NO2
- 분자량
- 395.58
이름 및 동의어
26685-57-4Abbott 401745HF6EE0TC4NSC-167790SP-1 (PHARMACEUTICAL)ABBOTT-40174A-401748-(1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYN-1-YL)-2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-OLRefChem:914467SP 1 (pharmaceutical)SP-1NSC167790
이름 더 보기
임신특정베타1-당단백질SP1CER2RHSP1GREM3CKTSF1B3GFRLTNFGYFEPGH-GFRLTNFGYFEPG-OHSP1 PROTEIN (HUMAN)SP3 PROTEIN (HUMAN)SP1, HUMAN, RECOMBINANT
5,5-dimethyl-8-(3-methyloctan-2-yl)-2-(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1H-chromeno[4,3-c]pyridin-10-olSP-1 (VAN)NSC 1677905,5-DIMETHYL-10-HYDROXY-8-(3-METHYL-2-OCTYL)-2-(2-PROPYNYL)-1,2,3,4-TETRAHYDRO-5H-(1)BENZOPYRANO(3,4-D)PYRIDINE5,5-dimethyl-10-hydroxy-8-(3-methyl-2-octyl)-2-(2-propynyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-d]pyridineUNII-5HF6EE0TC45,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-ol
데이터베이스 식별자
- CAS
26685-57-4- PubChem CID
- 99040
- DTXSID
DTXSID00949501- ChEMBL
CHEMBL66108- UNII
- 5HF6EE0TC4
- Nikkaji
- J20.079D
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 32.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 642
물리화학적 성질
- 끓는 점
- 517.8 · 517.8±50.0 °C(Predicted)
- 밀도
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 물리적 상태
- 완충 수용액
- 산도 계수 (pKa)
- 9.96 · 9.96±0.40(Predicted)
- 생물학적 소스
- mouse
안전 및 규제
안전 데이터
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
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