A008
7-(β-Hydroxyethyl)theophylline
Synonym(s):
1,3-Dimethyl-7-(2-hydroxyethyl)xanthine
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About This Item
Empirical Formula (Hill Notation):
C9H12N4O3
CAS Number:
Molecular Weight:
224.22
EC Number:
MDL number:
UNSPSC Code:
12352204
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SMILES string
CN1C(=O)N(C)c2ncn(CCO)c2C1=O
InChI
1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3
InChI key
NWPRCRWQMGIBOT-UHFFFAOYSA-N
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