Dextromethorphan N-oxide hydrochloride

CAT: 0926-FD21408-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-FD21408-01Size:0.1 g

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CAS Number

1177419-85-0

Synonyms

(9a,13a,14a) -3-Methoxy-17-methylmorphinan 17-oxide hydrochloride; (9S,13S,14S) -3-Methoxy-17-methylmorphinan 17-oxide hydrochloride

Smiles

C[N+]1 (CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C (C=C4) OC) [O-].Cl

Molecular Formula

C18H26ClNO2

Molecular Weight

323.86 g/mol

Controlled

Chemical Information

Dextromethorphan N-Oxide Hydrochloride

CAS Number	1177419-85-0
PubChem CID	24181428
IUPAC Name	4-methoxy-17-methyl-17-oxido-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
Molecular Formula	C18H26ClNO2
Molecular Weight	323.9
Topological Polar Surface Area	27.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	414

SMILES

C[N+]1(CCC23CCCCC2C1CC4=C3C=C(C=C4)OC)[O-].Cl

InChI

InChI=1S/C18H25NO2.ClH/c1-19(20)10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(21-2)12-16(13)18;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H

InChIKey

JJXFRVFGFPYDCZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1177419-85-0

CID: 24181428

Formula: C18H26ClNO2

MW: 323.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	323.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	323.1652068
Monoisotopic Mass	323.1652068
Topological Polar Surface Area	27.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	414
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
CXB49418-01	(+) -Dextromethorphan N-oxide
FC178292	Citalopram N-oxide hydrochloride
NAA16800-01	Diphenhydramine N-oxide hydrochloride
XH183248-01	Hydromorphone N-oxide hydrochloride
WWC92705	Bupivacaine N-oxide hydrochloride
AVD66242	Clozapine N-oxide hydrochloride
FM36326-01	Dextromethorphan
20-1437	Dextromethorphan antibody
FD146330	Dextromethorphan hydrobromide
80-1143	Dextromethorphan-HRP

Catalog	Name
271787-01	Dextromethorphan N-oxide hydrochloride
CS-O-34698	Dextromethorphan N-Oxide
CS-DH-00015	Dextromethorphan-N-oxide
AR-D05857-01	Dextromethorphan N-Oxide HCl
TRC-KIT4130-5X1ML	Dextromethorphan N-Oxide (1mg/ml in Acetonitrile)
CS-BU-00039	Dextromethorphan-d3 Hydrochloride
TRC-H825235-25MG	10beta-Hydroxy Dextromethorphan Hydrochloride
TRC-H825236-2.5MG	10Alpha-Hydroxy Dextromethorphan Hydrochloride
TRC-N839350-50MG	N-Nitroso Dextromethorphan
CS-O-05877	N-Desmethyl dextromethorphan