N-methyl-4-[2]paracyclo[2](6,9)-beta-carbolinophane

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C22H20N2.ClH/c1-24-13-12-19-20(14-24)23-22-18-9-7-16-4-2-15(3-5-16)6-8-17(10-11-18)21(19)22;/h2-5,10-14H,6-9H2,1H3;1H, and canonical SMILES descriptor[cheminf_000007]: C[n+]1ccc2c(c1)[nH]c1c2c2CCc3ccc(CCc1cc2)cc3.[Cl-], and by the IUPAC name[cheminf_000107]: .

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-37707

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 260.5 (°C)
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

CHMO:0000470 | mass spectrometry (MS)

CHMO:0000630 | infrared absorption spectroscopy (IR)

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations

这是一个与分子（molecule）[CHEBI_25367]相关联的物理化学实体（physical chemical entity）[CHEBI_24431]。
该分子[CHEBI_25367]可通过以下结构描述符（structural descriptor）[cheminf_000085]进行描述：
InChI描述符（InChI descriptor）[cheminf_000113]：InChI=1S/C22H20N2.ClH/c1-24-13-12-19-20(14-24)23-22-18-9-7-16-4-2-15(3-5-16)6-8-17(10-11-18)21(19)22;/h2-5,10-14H,6-9H2,1H3;1H，以及规范SMILES描述符（canonical SMILES descriptor）[cheminf_000007]：C[n+]1ccc2c(c1)[nH]c1c2c2CCc3ccc(CCc1cc2)cc3.[Cl-]，并通过IUPAC名称（IUPAC name）[cheminf_000107]：。

该物理化学实体[CHEBI_24431]含有一种组分溶剂（component solvent）[CHEBI_46787]，其通过规范SMILES描述符[cheminf_000007]描述：

该物理化学实体[CHEBI_24431]在研究数据仓库（research data repository）chemotion（网址：www.chemotion-repository.net，DOI：https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本ID为：CRS-37707

该物理化学实体[CHEBI_24431]可通过以下物理描述符（physical descriptor）[CHEMINF_000025]进行描述：
熔点描述符（melting point descriptor）[CHEMINF_000256]：260.5（°C）
沸点描述符（boiling point descriptor）[CHEMINF_000257]：
折射率描述符（refractive index descriptor）[CHEMINF_000253]：

该物理化学实体[CHEBI_24431]可通过以下实验分析（assay）[OBI:0000070][CHMO:0001133]进一步描述：

CHMO:0000595 | 碳-13核磁共振波谱法（13C nuclear magnetic resonance spectroscopy）（13C NMR）

CHMO:0000470 | 质谱法（mass spectrometry）（MS）

CHMO:0000630 | 红外吸收光谱法（infrared absorption spectroscopy）（IR）

CHMO:0000593 | 氢-1核磁共振波谱法（1H nuclear magnetic resonance spectroscopy）（1H NMR）

该物理化学实体[CHEBI_24431]已存入卡尔斯鲁厄理工学院（Karlsruhe Institute of Technology，KIT）的分子档案库（Molecule Archive），其样本ID为：

使用的本体（ontology）：
CHEBI - 生物相关化学实体（Chemical Entities of Biological Interest）
CHEMINF - 化学信息本体（chemical information ontology）（关于化学实体的信息实体）
CHMO - 化学方法本体（Chemical Methods Ontology）
OBI - 生物医学研究本体（Ontology for Biomedical Investigations）