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Carbamat Noroxymorphone

CAT: 1596-AR-N08160-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N08160-01Size:10 Units
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CAS Number
144265-46-3
Synonyms
Ethyl (4S,4aS,7aR,12bS) -4a,9-dihydroxy-7-oxo-1,2,4,4a,5,6,7,7a-octahydro-3H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-carboxylate
Molecular Formula
C19H21NO6
API Name
Naltrexone

Chemical Information

Carbamat Noroxymorphone
CAS Number144265-46-3
PubChem CID86596553
IUPAC Nameethyl (4R,4aS,7aR,12bS)-4a,9-dihydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-carboxylate
Molecular FormulaC19H21NO6
Molecular Weight359.4
XLogP1.1
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity654
SMILES
CCOC(=O)N1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O
InChI
InChI=1S/C19H21NO6/c1-2-25-17(23)20-8-7-18-14-10-3-4-11(21)15(14)26-16(18)12(22)5-6-19(18,24)13(20)9-10/h3-4,13,16,21,24H,2,5-9H2,1H3/t13-,16+,18+,19-/m1/s1
InChIKey
VKKGYMPXUABXFV-SKSLQVBQSA-N
Chemical Structure
2D Structure
2D structure of Carbamat Noroxymorphone
CAS: 144265-46-3
CID: 86596553
Formula: C19H21NO6
MW: 359.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight359.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass359.13688739
Monoisotopic Mass359.13688739
Topological Polar Surface Area96.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes