Venlafaxine N-Oxide

CAT: 1596-AR-V01288-01Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V01288-01Size:25 Units

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CAS Number

1094598-37-4

Synonyms

2- (1-hydroxycyclohexyl) -2- (4-methoxyphenyl) -N, N-dimethylethanamine oxide

Molecular Formula

C17H27NO3

Molecular Weight

293.41

API Name

Venlafaxine

Chemical Information

Venlafaxine N-Oxide

Venlafaxine n-oxide is a member of methoxybenzenes.

CAS Number	1094598-37-4
PubChem CID	76559643
IUPAC Name	2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide
Molecular Formula	C17H27NO3
Molecular Weight	293.4
XLogP	2.4
Topological Polar Surface Area	47.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	318

SMILES

C[N+](C)(CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O)[O-]

InChI

InChI=1S/C17H27NO3/c1-18(2,20)13-16(17(19)11-5-4-6-12-17)14-7-9-15(21-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3

InChIKey

LASJEFFANGIOGZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1094598-37-4

CID: 76559643

Formula: C17H27NO3

MW: 293.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.4
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	293.19909372
Monoisotopic Mass	293.19909372
Topological Polar Surface Area	47.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	318
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
AR-V06506-01	Venlafaxine-d6 N-Oxide
AR-V01284-01	Venlafaxine N-Dimer
AR-V01256-01	N, O-Didesmethyl Venlafaxine
AR-V01260-01	Venlafaxine EP Impurity C HCl (N, N-Didesmethyl Venlafaxine HCl)
AR-V01253-01	O-Desmethyl-N, N-didesmethyl Venlafaxine
AR-V06500-01	N-Nitroso Venlafaxine Impurity 23
AR-V06499-01	N-Nitroso Venlafaxine Impurity 22
AR-V06496-01	N-Nitroso Venlafaxine Impurity 20
AR-V06494-01	N-Nitroso Venlafaxine Impurity 18
AR-V06491-01	N-Nitroso Venlafaxine Impurity 13

Catalog	Name
CS-T-62712	Venlafaxine N-Oxide
UTB59837-01	Venlafaxine-d6 N-Oxide
HY-144239S-01	Venlafaxine N-oxide-d6
RM-V140945-01	Venlafaxine N-Oxide Impurity; Desvenlafaxine N-Oxide
CS-P-06996	Desmethyl Venlafaxine N-Oxide Impurity
HY-W742574	Venlafaxine N-Oxide-d6-1
T38134	(S) -O-Desmethyl Venlafaxine N-Oxide
MBS5798871	(S)-O-Desmethyl Venlafaxine N-Oxide
TRC-D296763-25MG	D,L-O-Desmethyl Venlafaxine N-Oxide
445685-01	D, L-O-Desmethyl Venlafaxine N-Oxide