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8-Hydroxyondansetron

8-Hydroxyondansetron structure

CAS No:
126671-71-4
Formula:
C18H19N3O2
Chemical Name:
8-Hydroxyondansetron
Synonyms:
4H-Carbazol-4-one,1,2,3,9-tetrahydro-8-hydroxy-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-;1,2,3,9-Tetrahydro-8-hydroxy-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-carbazol-4-one;8-Hydroxyondansetron;GR 90315

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8-Hydroxyondansetron Basic Attributes

Molecular Weight：

309.36200

Exact Mass：

309.36

DSSTox ID：

DTXSID80599407

Characteristics

PSA：

60.05000

XLogP3：

2.83410

Density：

1.36g/cm3

Boiling Point：

602.4ºC at 760 mmHg

Flash Point：

318.1ºC

Refractive Index：

1.696

Vapor Pressure：

4.16E-15mmHg at 25°C

Collision Cross Section：

173.7 Å² [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

Drug Information

Metabolism/Metabolites：

8-Hydroxyondansetron has known human metabolites that include ondansetron 8-O-glucuronide and ondansetron 8-O-sulfate.

MeSH Entry Terms：

8-hydroxyondansetron

Computed Properties

Molecular Weight:309.4
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:309.147726857
Monoisotopic Mass:309.147726857
Topological Polar Surface Area:60
Heavy Atom Count:23
Complexity:471
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-Hydroxyondansetron

Basic Attributes
Characteristics
Drug Information
Computed Properties

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