Hydrodolasetron

CAT: 1299-RM-H251900-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-H251900-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

127951-99-9

Synonyms

(2s,6R,8r,9aS) -3-hydroxyoctahydro-1H-2,6-methanoquinolizin-8-yl 1H-indole-3-carboxylate

Molecular Formula

C19H22N2O3

Molecular Weight

326.39

Target Alternative Name

Hydrodolasetron

Product Name Synonym

(2s,6R,8r,9aS) -3-hydroxyoctahydro-1H-2,6-methanoquinolizin-8-yl 1H-indole-3-carboxylate

Chemical Information

Mdl-74156

CAS Number	127951-99-9
PubChem CID	159502
IUPAC Name	(10-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 1H-indole-3-carboxylate
Molecular Formula	C19H22N2O3
Molecular Weight	326.4
XLogP	3.2
Topological Polar Surface Area	65.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	497

SMILES

C1C2CC3CC(CC1N3CC2O)OC(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C19H22N2O3/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/h1-4,9,11-14,18,20,22H,5-8,10H2

InChIKey

MLWGAEVSWJXOQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 127951-99-9

CID: 159502

Formula: C19H22N2O3

MW: 326.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.4
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	326.16304257
Monoisotopic Mass	326.16304257
Topological Polar Surface Area	65.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	497
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes