基本情報
- CAS
66556-74-9- 標準SMILES
C#CCN1CCC2=C(C1)c1c(OC(=O)CCCN3CCCCC3)cc(C(C)C(C)CCCCC)cc1OC2(C)C- InChIKey
MCVPMHDADNVRKF-UHFFFAOYSA-N- 分子式
- C35H52N2O3
- 平均分子量
- 548.8 g/mol
- 単同位体質量
- 548.39779352
概要
has significant intraocular pressure lowering effect; tetrahydropyridobenzopyran derived from cannabinoid; RN given refers to parent cpd; structure
名称と識別子
- 優先名称
- 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-yl 1-piperidinebutanoate
- IUPAC
- [5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate
- 現地名
- ナビタン
- 英語名
- Nabitan
- 分子式
- C35H52N2O3
- 分子量
- 548.8
名称と別名
NABITANBenzopyranoperidineNabutan66556-74-9JO7BOR6B3ODTXSID40867230RefChem:914468DTXCID208154318-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl 1-piperidinebutanoateNabitan [INN]NabitanumNabitanum [INN-Latin]
名称をさらに表示
ナビタン( -)-8-(1,2-Dimethylheptyl)-2,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propinyl)-1H-(1)benzopyrano(4,3-C)pyridin-10-yl 4-piperidinobutyrat( -)-8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-C)pyridin-10-yl 1-piperidinebutyrate1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-C)pyridin-10-yl ester1-Piperidinebutanoic acid, 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-yl ester
UNII-JO7BOR6B3O[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoateSCHEMBL489154CHEMBL2110593SCHEMBL31402797(+-)-8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl 1-piperidinebutyrate(+-)-8-(1,2-Dimethylheptyl)-2,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propinyl)-1H-(1)benzopyrano(4,3-c)pyridin-10-yl 4-piperidinobutyratQ1962034
データベース識別子
- CAS
66556-74-9- PubChem CID
- 39503
- DTXSID
DTXSID40867230- ChEMBL
CHEMBL2110593- UNII
- JO7BOR6B3O
- Nikkaji
- J238.709C
物性
構造計算による物性
- XLogP
- 6.9
- 極性表面積
- 42 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 13
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 911
化学と産業
応用分野
使用Analgesic.
サプライヤー1 社
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
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