3-Methoxy Morphinan

CAT: 1596-AR-M05106-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M05106-02Size:25 Units

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CAS Number

1531-25-5

Synonyms

(4bR,8aR,9R) -3-methoxy-6,7,8,8a,9,10-hexahydro-5H-9,4b- (epiminoethano) phenanthrene

Molecular Formula

C17H23NO

Molecular Weight

257.38

API Name

Morphine

Chemical Information

3-Methoxymorphinan

dextromethorphan metabolite; RN & N1 from 9th CI Form Index; RN given refers to cpd without isomeric designation; structure in first source

CAS Number	1531-25-5
PubChem CID	5484286
IUPAC Name	(1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Molecular Formula	C17H23NO
Molecular Weight	257.37
XLogP	3
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	344

SMILES

COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3)C=C1

InChI

InChI=1S/C17H23NO/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13/h5-6,11,14,16,18H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1

InChIKey

ILNSWVUXAPSPEH-USXIJHARSA-N

Chemical Structure

2D Structure

CAS: 1531-25-5

CID: 5484286

Formula: C17H23NO

MW: 257.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.37
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	257.177964357
Monoisotopic Mass	257.177964357
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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
AR-R01961-01	3-Methoxy-ropinirole
AR-L06327-01	3-Methoxy-10H-phenothiazine
AR-D06055-01	(+) -3-Methoxy-N-formylmorphinan
AR-B01259-01	4-Methoxy-3-nitroaniline
AR-T03173-01	3-Methoxy Tyramine Sulfate
AR-P32950-01	Methyl 3-Methoxy-Propionate
AR-C08062-01	3-Methoxy-4-Hydroxyclomiphene
AR-T03169-01	3-Methoxy Tyramine HCl
AR-T03174-01	3-Methoxy Tyramine Glucuronide
AR-P32963-01	3-Methoxy-Propionic Acid

Catalog	Name
CS-ED-01778	3-Methoxy Morphinan
TRC-M268755-250MG	3-Methoxy-17-(trifluoroacetyl)-morphinan
RM-D242007-01	Dextromethorphan Impurity 7; 3-Methoxy-17-Methyl-Morphinan-10β-Ol
TRC-H946355-2.5MG	14-Hydroxy-3-methoxy-6-oxo-morphinan 6-Ethylene Ketal
TRC-H946285-10MG	14-Hydroxy-3-methoxy-N-methyl-6-oxo-4-phenoxy-morphinan
TRC-M322985-5MG	(9Alpha,10Alpha,13Alpha,14Alpha)-3-Methoxy-17-methyl-morphinan-10-ol
BHC17317-01	4,5 alpha-Epoxy-3- (methoxy-d3) -morphinan-6-one hydrochloride
440591-01	(9α,10α,13α,14α) -3-Methoxy-17-methyl-morphinan-10-ol
TRC-M322985-10MG	(9a,10a,13a,14a)-3-Methoxy-17-methyl-morphinan-10-ol
279303-01	14-Hydroxy-3-methoxy-17-methyl-6-oxo-morphinan 6-ethylene ketal