기본 정보
- CAS
250685-44-0- 표준 SMILES
COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O- InChIKey
AQMPIDSGLFVVPL-UHFFFAOYSA-N- 분자식
- C27H29N3O3
- 평균 분자량
- 443.5 g/mol
- 단동위원소 질량
- 443.2208918
이름 및 식별자
- 우선 이름
- 8-(1-Naphthalenylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-acetic acid Methyl Ester
- IUPAC
- methyl 2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
- 영어명
- 8-(1-Naphthalenylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-acetic acid, methyl ester
- 분자식
- C27H29N3O3
- 분자량
- 443.54
이름 및 동의어
250685-44-08-(1-Naphthalenylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-acetic acid Methyl EsterNNC63-0532NNC-63-0532Methyl 2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetateCHEMBL208803673663SY1DT1,3,8-Triazaspiro[4.5]decane-3-acetic acid, 8-(1-naphthalenylmethyl)-4-oxo-1-phenyl-, methyl ester1,3,8-Triazaspiro(4.5)decane-3-acetic acid, 8-(1-naphthalenylmethyl)-4-oxo-1-phenyl-, methyl esterUNII-73663SY1DTorb1704293SCHEMBL7757872
이름 더 보기
NNC 63-0532methyl [8-(1-naphthylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetatemethyl 2-(8-(naphthalen-2-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetateNNC 63-0532. methyl [8-(1-naphthylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate1,3,8-Triazaspiro[4.5]decane-3-aceticacid, 8-(1-naphthalenylmethyl)-4-oxo-1-phenyl-, methyl ester
SCHEMBL29766745AQMPIDSGLFVVPL-UHFFFAOYSA-NGLXC-10107BDBM50420800STX052906XH1465AKOS0254026538-(1-Naphthalenylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-acetic acid, methyl ester
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 53.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 699
실험 및 물리화학적 성질
LogP3.85
물리화학적 성질
- 저장 조건
- Store at RT
- 용해도
- 5 mM · Soluble to 5 mM in ethanol and to 50 mM in DMSO
- 물리적 상태
- 가루
- 색상
- White to off-white
화학 및 산업
응용 분야
용도8-(1-Naphthalenylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-acetic acid Methyl Ester is a potent nociceptin receptor agonist.
공급사19 곳
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