Chem
J-GLOBAL ID:200907057853459986
Nikkaji number:J7.223K
Pentifylline
ペンチフィリン
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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:
C13 H20 N4 O2
Molecular formula furigana:
C13-H20-N4-O2
Molecular weight:
264.329
InChI:
InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3
InChI key:
MRWQRJMESRRJJB-UHFFFAOYSA-N
SMILES:
CCCCCCn1c(=O)n(C)c2ncn(C)c2c1=O
Systematic name (4):
1-ヘキシル-3,7-ジメチルキサンチン
3,7-ジヒドロ-3,7-ジメチル-1-ヘキシル-1H-プリン-2,6-ジオン
1-ヘキシル-3,7-ジメチル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
1-hexyl-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (7):
ペンチフィリン
1-ヘキシルテオブロミン
SK-7
Pentifylline
1-Hexyltheobromine
3,7-Dihydro-3,7-dimethyl-1-hexyl-1H-purine-2,6-dione
1-Hexyl-3,7-dimethylxanthine
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CAS registry number:
1028-33-7
Regulation number (1):
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