DOLASETRON

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Synonyms
Status
Molecule Category Free-form
ATC A04AA04
UNII 82WI2L7Q6E

Structure

InChI Key UKTAZPQNNNJVKR-KJGYPYNMSA-N
Smiles O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12
InChI
InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11-,12-,13+,14+

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20N2O3
Molecular Weight 324.38
AlogP 2.52
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 62.4
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2368925
DrugBank DB00757
FDA SRS 82WI2L7Q6E
ZINC ZINC000103105084
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