Ondansetron

CAT: 0127-BUP11721-03Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11721-03Size:200 mg

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CAS Number

99614-02-5

Synonyms

GR-C507/75, GR 38032, GR 38032F, SN 307

Purity

=98%

Smiles

Cl.CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2

Chemical Information

Ondansetron

Ondansetron is a member of carbazoles.

CAS Number	99614-02-5
PubChem CID	4595
IUPAC Name	9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
Molecular Formula	C18H19N3O
Molecular Weight	293.4
XLogP	2.3
Topological Polar Surface Area	39.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	440

SMILES

CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C

InChI

InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3

InChIKey

FELGMEQIXOGIFQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99614-02-5

CID: 4595

Formula: C18H19N3O

MW: 293.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.4
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	293.152812238
Monoisotopic Mass	293.152812238
Topological Polar Surface Area	39.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	440
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
B2241-10	Ondansetron