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Oripavine 3-Acetate

CAT: 0572-TRC-O675005-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O675005-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57093-47-7
Synonyms
3-Acetyloripavine; (5alpha)- 6,7,8,14-Tetradehydro-4,5-epoxy-6-methoxy-17-methyl-Morphinan-3-ol 3-Acetate;
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
COC1=CC=C2[C@H]3Cc4ccc(OC(=O)C)c5O[C@@H]1[C@]2(CCN3C)c45
Molecular Formula
C20H21NO4
Molecular Weight
339.39
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Oripavine 3-Acetate
CAS Number57093-47-7
PubChem CID125324845
IUPAC Name[(4R,7aR,12bS)-7-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate
Molecular FormulaC20H21NO4
Molecular Weight339.4
XLogP2
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity671
SMILES
CC(=O)OC1=C2C3=C(C[C@@H]4C5=CC=C([C@@H]([C@@]53CCN4C)O2)OC)C=C1
InChI
InChI=1S/C20H21NO4/c1-11(22)24-15-6-4-12-10-14-13-5-7-16(23-3)19-20(13,8-9-21(14)2)17(12)18(15)25-19/h4-7,14,19H,8-10H2,1-3H3/t14-,19+,20+/m1/s1
InChIKey
SVAVPYBMGBOHNA-UAOJZALGSA-N
Chemical Structure
2D Structure
2D structure of Oripavine 3-Acetate
CAS: 57093-47-7
CID: 125324845
Formula: C20H21NO4
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass339.14705815
Monoisotopic Mass339.14705815
Topological Polar Surface Area48 Ų
Heavy Atom Count25
Formal Charge0
Complexity671
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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