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Nalorphine Diacetate

CAT: 0572-TRC-N284453-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N284453-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2748-74-5
Synonyms
Nalorphine Diacetate
Hazard Statement
No Data Available
Smiles
CC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(=O)C)c5O[C@@H]1[C@]2(CCN3CC=C)c45
Molecular Formula
C23 H25 N O5
Molecular Weight
395.448
InChI
InChI=1S/C23H25NO5/c1-4-10-24-11-9-23-16-6-8-19(28-14(3)26)22(23)29-21-18(27-13(2)25)7-5-15(20(21)23)12-17(16)24/h4-8,16-17,19,22H,1,9-12H2,2-3H3/t16-,17+,19-,22-,23-/m0/s1
Additionnal Information
IUPAC name: [(4R,4aR,7S,7aR,12bS)-7-acetyloxy-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl] acetate
Shipping Conditions
Room Temperature

Chemical Information

Diacetylnalorphine
CAS Number2748-74-5
PubChem CID20055473
IUPAC Name[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
Molecular FormulaC23H25NO5
Molecular Weight395.4
XLogP2.5
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity750
SMILES
CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3CC=C
InChI
InChI=1S/C23H25NO5/c1-4-10-24-11-9-23-16-6-8-19(28-14(3)26)22(23)29-21-18(27-13(2)25)7-5-15(20(21)23)12-17(16)24/h4-8,16-17,19,22H,1,9-12H2,2-3H3/t16-,17+,19-,22-,23-/m0/s1
InChIKey
PRQBBJWORXAHMN-JIAAILLZSA-N
Chemical Structure
2D Structure
2D structure of Diacetylnalorphine
CAS: 2748-74-5
CID: 20055473
Formula: C23H25NO5
MW: 395.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.4
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass395.17327290
Monoisotopic Mass395.17327290
Topological Polar Surface Area65.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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