7-Hydroxy ondansetron

CAT: 0926-BFA70217-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-BFA70217-02Size:5 mg

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CAS Number

126702-17-8

MDL Number

MFCD08063683

Smiles

CC1=NC=CN1CC2CCC3=C (C2=O) C4=C (N3C) C=C (C=C4) O

Molecular Formula

C18H19N3O2

Molecular Weight

309.4 g/mol

Controlled

Chemical Information

7-Hydroxyondansetron

CAS Number	126702-17-8
PubChem CID	71749264
IUPAC Name	7-hydroxy-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
Molecular Formula	C18H19N3O2
Molecular Weight	309.4
XLogP	1.9
Topological Polar Surface Area	60.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	23
Formal Charge	0
Complexity	471

SMILES

CC1=NC=CN1CC2CCC3=C(C2=O)C4=C(N3C)C=C(C=C4)O

InChI

InChI=1S/C18H19N3O2/c1-11-19-7-8-21(11)10-12-3-6-15-17(18(12)23)14-5-4-13(22)9-16(14)20(15)2/h4-5,7-9,12,22H,3,6,10H2,1-2H3

InChIKey

DTJUCZWBHDEFRB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 126702-17-8

CID: 71749264

Formula: C18H19N3O2

MW: 309.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
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	60.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	471
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
FO157236	Ondansetron
MO11760	Ondansetron 7-D-glucuronide (mixture of isomers)
FO65112-01	Ondansetron HCl
ZDA61403-01	Ondansetron impurity G
FO26571-01	Ondansetron hydrochloride dihydrate
FBA62696-01	7α-Hydroxy pregnenolone
ZCA93811-01	7-Hydroxy-DPAT
FH74974-01	7-Hydroxy mitragynine
CEA93228-01	7-Hydroxy doxazosin
FH23987-01	7-Hydroxy doxazosin

Catalog	Name
TRC-H951150-1MG	7-Hydroxy Ondansetron
sc-488425	7-Hydroxy Ondansetron Hydrochloride
AR-O01386-01	7-Hydroxy Ondansetron HCl
TRC-H485485-50MG	Hydroxy-Ondansetron
TRC-H951145-10MG	6-Hydroxy Ondansetron
AR-O01387-01	8-Hydroxy Ondansetron
AR-O01385-01	6-Hydroxy Ondansetron HCl
AR-O08895-01	Ondansetron 1-Hydroxy Impurity (Mixture of Diastereomers)
B2241-10	Ondansetron