2-Imino-8-methyl-10-oxo-1-phenethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
基本情報
- CAS
371232-38-1- 標準SMILES
Cc1cccn2c(=O)c3cc(C(=O)NCC4CCCO4)c(=N)n(CCc4ccccc4)c3nc12- InChIKey
GDBXLWKJWBUEQZ-UHFFFAOYSA-N- 分子式
- C26H27N5O3
- 平均分子量
- 457.5 g/mol
- 単同位体質量
- 457.21138974
名称と識別子
- 優先名称
- 2-Imino-8-methyl-10-oxo-1-phenethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
- IUPAC
- 6-imino-11-methyl-2-oxo-N-(oxolan-2-ylmethyl)-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
名称と別名
MLS0012212622-Imino-8-methyl-10-oxo-1-phenethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide371232-38-1SMR000612010CHEMBL1522811BDBM53292cid_2929681HMS2910N19STK703428AKOS000528994AKOS016064377EU-0014236
名称をさらに表示
Z563275142-azanylidene-10-methyl-5-oxidanylidene-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)dipyrido[3,4-c:1'',2''-f]pyrimidine-3-carboxamide2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-N-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-N-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide2-imino-10-methyl-5-oxo-1-phenethyl-N-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide2-imino-10-methyl-5-oxo-N-(2-oxolanylmethyl)-1-(2-phenylethyl)-3-dipyrido[3,4-c:1'',2''-f]pyrimidinecarboxamide2-imino-10-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)dipyrido[3,4-c:1'',2''-f]pyrimidine-3-carboxamide2-imino-5-keto-10-methyl-1-phenethyl-N-(tetrahydrofurfuryl)dipyrido[3,4-c:1'',2''-f]pyrimidine-3-carboxamide
データベース識別子
- CAS
371232-38-1- PubChem CID
- 2929681
- ChEMBL
CHEMBL1522811
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 98.1 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 6
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 1,040
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
関連反応
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