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(-)-N-Formyl-3-methoxymorphinan

CAT: 0572-TRC-F714685-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F714685-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51745-06-3
Hazard Statement
Toxic if swallowed; UN number: UN2810; Packing Group: III
Smiles
COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3C=O)c2c1
Molecular Formula
C18H23NO2
Molecular Weight
285.38
Shipping Conditions
Room Temperature

Chemical Information

(-)-N-Formyl-3-methoxymorphinan
CAS Number51745-06-3
PubChem CID124409244
IUPAC Name(1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carbaldehyde
Molecular FormulaC18H23NO2
Molecular Weight285.4
XLogP2.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity412
SMILES
COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3C=O)C=C1
InChI
InChI=1S/C18H23NO2/c1-21-14-6-5-13-10-17-15-4-2-3-7-18(15,16(13)11-14)8-9-19(17)12-20/h5-6,11-12,15,17H,2-4,7-10H2,1H3/t15-,17+,18+/m0/s1
InChIKey
FZNYYMPPLIJMRC-CGTJXYLNSA-N
Chemical Structure
2D Structure
2D structure of (-)-N-Formyl-3-methoxymorphinan
CAS: 51745-06-3
CID: 124409244
Formula: C18H23NO2
MW: 285.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass285.172878976
Monoisotopic Mass285.172878976
Topological Polar Surface Area29.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity412
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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