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Thevinone

CAT: 0926-QAA35822-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-QAA35822-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15358-22-2
Smiles
CC (=O) C1CC23C=CC1 (C4C25CCN (C3CC6=C5C (=C (C=C6) OC) O4) C) OC
Molecular Formula
C23H27NO4
Molecular Weight
381.5 g/mol
Controlled
Yes

Chemical Information

1-((5alpha,7alpha)-4,5-Epoxy-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl)ethanone

structure in first source

CAS Number15358-22-2
PubChem CID84879
IUPAC Name1-[(1R,2S,6R,14R,15R,16S)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]ethanone
Molecular FormulaC23H27NO4
Molecular Weight381.5
XLogP2.1
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity753
SMILES
CC(=O)[C@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C)OC
InChI
InChI=1S/C23H27NO4/c1-13(25)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(26-3)19(28-20)18(14)22/h5-8,15,17,20H,9-12H2,1-4H3/t15-,17-,20-,21-,22+,23-/m1/s1
InChIKey
DGSADVAMZWFCMP-LLGZQOTFSA-N
Chemical Structure
2D Structure
2D structure of 1-((5alpha,7alpha)-4,5-Epoxy-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl)ethanone
CAS: 15358-22-2
CID: 84879
Formula: C23H27NO4
MW: 381.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.5
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass381.19400834
Monoisotopic Mass381.19400834
Topological Polar Surface Area48 Ų
Heavy Atom Count28
Formal Charge0
Complexity753
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
467472Thevinone discontinued
TRC-T383485-0.5MGBeta-Thevinone
TRC-T383485-2.5MGb-Thevinone

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