Chem
J-GLOBAL ID:200907096750239185
Nikkaji number:J34.703E
Cafedrine
カフェドリン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C18 H23 N5 O3
Molecular formula furigana:
C18-H23-N5-O3
Molecular weight:
357.414
InChI:
InChI=1S/C18H23N5O3/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2/h4-8,11-12,15,19,24H,9-10H2,1-3H3
InChI key:
UJSKUDDDPKGBJY-UHFFFAOYSA-N
SMILES:
CC(NCCn1cnc2n(C)c(=O)n(C)c(=O)c12)C(O)c1ccccc1
Systematic name (4):
7-[2-(β-ヒドロキシ-α-メチルフェネチルアミノ)エチル]-3,7-ジヒドロ-1,3-ジメチル-1H-プリン-2,6-ジオン
3,7-ジヒドロ-7-[2-[(2-ヒドロキシ-1-メチル-2-フェニルエチル)アミノ]エチル]-1,3-ジメチル-1H-プリン-2,6-ジオン
7-{2-[(1-ヒドロキシ-1-フェニルプロパン-2-イル)アミノ]エチル}-1,3-ジメチル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
7-{2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (4):
カフェドリン
Cafedrine
3,7-Dihydro-7-[2-[(2-hydroxy-1-methyl-2-phenylethyl)amino]ethyl]-1,3-dimethyl-1H-purine-2,6-dione
7-[2-(β-Hydroxy-α-methylphenethylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CAS registry number:
58166-83-9
Regulation number (1):
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