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(9alpha,13alpha)-3-Methoxy-17-methylmorphinan

CAT: 0572-TRC-M895460-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M895460-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1453167-99-1
Synonyms
Morphinan, 3-methoxy-17-methyl-, (9α,13α)-; Dextromethorphan Imp. D (EP): ent-(14S)-3-Methoxy-17-methylmorphinan
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
COc1ccc2C[C@H]3[C@@H]4CCCC[C@@]4(CCN3C)c2c1
Molecular Formula
C18 H25 N O
Molecular Weight
271.4
InChI
InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17-,18-/m0/s1
Shipping Conditions
Room Temperature

Chemical Information

Ent-(14S)-3-Methoxy-17-methylmorphinan

LSM-2525 is a morphinane alkaloid.

CAS Number1453167-99-1
PubChem CID5702040
IUPAC Name(1S,9S,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Molecular FormulaC18H25NO
Molecular Weight271.4
XLogP3.4
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity370
SMILES
CN1CC[C@@]23CCCC[C@H]2[C@@H]1CC4=C3C=C(C=C4)OC
InChI
InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17-,18-/m0/s1
InChIKey
MKXZASYAUGDDCJ-SZMVWBNQSA-N
Chemical Structure
2D Structure
2D structure of Ent-(14S)-3-Methoxy-17-methylmorphinan
CAS: 1453167-99-1
CID: 5702040
Formula: C18H25NO
MW: 271.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass271.193614421
Monoisotopic Mass271.193614421
Topological Polar Surface Area12.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FM159629-01Ent- (14S) -3-Methoxy-17-methylmorphinan
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FD924616alpha,9alpha-Difluoroprednisolone 17-Acetate
439488-017-Bromo-4,5-epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one Hydrochloride
411478-011,7-Dibromo-4,5-epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one
MBS5810343(9alpha,13alpha,14alpha)-4-Hydroxy-3,7-dimethoxy-7,8-didehydromorphinan-6-one
MBS58017499alpha-Hydroxysophocarpine
MBS58017989alpha-Hydroxymatrine
437513-01(5α,6α,10α) -7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6,10-diol 6,10-Diacetate

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