Dexoxadrol

CAT: 0926-EAA74141-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-EAA74141-02Size:10 mg

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CAS Number

4741-41-7

MDL Number

MFCD00868079

Smiles

C1CCNC (C1) C2COC (O2) (C3=CC=CC=C3) C4=CC=CC=C4

Molecular Formula

C20H23NO2

Molecular Weight

309.4 g/mol

Controlled

Chemical Information

Dexoxadrol

Dexoxadrol is a small molecule drug. Dexoxadrol has a monoisotopic molecular weight of 309.17 Da.

CAS Number	4741-41-7
PubChem CID	3034023
IUPAC Name	(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine
Molecular Formula	C20H23NO2
Molecular Weight	309.4
XLogP	3.4
Topological Polar Surface Area	30.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	356

SMILES

C1CCN[C@@H](C1)[C@H]2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2/t18-,19+/m0/s1

InChIKey

HGKAMARNFGKMLC-RBUKOAKNSA-N

Chemical Structure

2D Structure

CAS: 4741-41-7

CID: 3034023

Formula: C20H23NO2

MW: 309.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	309.172878976
Monoisotopic Mass	309.172878976
Topological Polar Surface Area	30.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	356
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5781021	Dexoxadrol hydrochloride