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Also known as: 33522-95-1, (5alpha)-4,5-epoxy-3,14-dihydroxymorphinan-6-one, (-)-noroxymorphone, En 3169, 7,8-dihydro-14-hydroxynormorphinone, 14-hydroxydihydronormorphinone

Molecular Formula

C₁₆H₁₇NO₄

Molecular Weight

287.31 g/mol

InChI Key

HLMSIZPQBSYUNL-IPOQPSJVSA-N

FDA UNII

9NZ7111A9O

1 2D Structure

Noroxymorphone API

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4R,4aS,7aR,12bS)-4a,9-dihydroxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

2.1.2 InChI

InChI=1S/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2/t11-,14+,15+,16-/m1/s1

2.1.3 InChI Key

HLMSIZPQBSYUNL-IPOQPSJVSA-N

2.1.4 Canonical SMILES

C1CC2(C3CC4=C5C2(CCN3)C(C1=O)OC5=C(C=C4)O)O

2.1.5 Isomeric SMILES

C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3)[C@H](C1=O)OC5=C(C=C4)O)O

2.2 Other Identifiers

2.2.1 UNII

9NZ7111A9O

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 33522-95-1

2. (5alpha)-4,5-epoxy-3,14-dihydroxymorphinan-6-one

3. (-)-noroxymorphone

4. En 3169

5. 7,8-dihydro-14-hydroxynormorphinone

6. 14-hydroxydihydronormorphinone

7. 9nz7111a9o

8. Nor Oxymorphone

9. Unii-9nz7111a9o

10. Einecs 251-561-5

11. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-, (5.alpha.)-

12. Schembl136548

13. Noroxymorphone [who-dd]

14. Dtxsid80955145

15. Chebi:187724

16. Zinc2522694

17. En-3169

18. 4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one

19. 4,5alpha-epoxy-3,14-dihydroxy Morphinan-6-one

20. Q25102255

21. (5.alpha.)-4,5-epoxy-3,14-dihydroxymorphinan-6-one

22. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-, (5alpha)-

23. Morphinan-6-one, 4,5alpha-epoxy-3,14-dihydroxy- (8ci)

24. Oxycodone Hydrochloride, Noroxymorphone- [usp Impurity]

25. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-, (5alpha)- (9ci)

26. Naloxone Hydrochloride Dihydrate Impurity A [ep Impurity]

27. (4r,4as,7ar,12bs)-4a,9-dihydroxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinolin-7-one

28. (4r,4as,7ar,12bs)-4a,9-dihydroxy-2,3,4,4a,5,6-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7(7ah)-one

2.4 Create Date

2005-06-01

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₇NO₄
Molecular Weight	287.31 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	287.11575802 g/mol
Monoisotopic Mass	287.11575802 g/mol
Topological Polar Surface Area	78.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	511
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1