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CAS 52446-25-0

CAS 52446-25-0

Chemistry, 2 End Use API, 24 Related Intermediates

Manufacturers/Suppliers

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Also known as: Noroxycodone hydrochloride, 52446-25-0, T3m7lq6q2y, 7,8-dihydro-14-hydroxynorcodeinone hydrochloride, (4r,4as,7ar,12bs)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride, Thecodinum

Molecular Formula

C₁₇H₂₀ClNO₄

Molecular Weight

337.8 g/mol

InChI Key

IGNAMRAQFUFUMH-KCTCKCTRSA-N

FDA UNII

T3M7LQ6Q2Y

A semisynthetic derivative of CODEINE.

1 2D Structure

CAS 52446-25-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C17H19NO4.ClH/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15;/h2-3,12,15,18,20H,4-8H2,1H3;1H/t12-,15+,16+,17-;/m1./s1

2.1.3 InChI Key

IGNAMRAQFUFUMH-KCTCKCTRSA-N

2.1.4 Canonical SMILES

COC1=C2C3=C(CC4C5(C3(CCN4)C(O2)C(=O)CC5)O)C=C1.Cl

2.1.5 Isomeric SMILES

COC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4)[C@@H](O2)C(=O)CC5)O)C=C1.Cl

2.2 Other Identifiers

2.2.1 UNII

T3M7LQ6Q2Y

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Dihydrohydroxycodeinone

2. Dihydrone

3. Dinarkon

4. Eucodal

5. Oxiconum

6. Oxycodeinon

7. Oxycodone

8. Oxycodone Hydrochloride

9. Oxycone

10. Oxycontin

11. Pancodine

12. Theocodin

2.3.2 Depositor-Supplied Synonyms

1. Noroxycodone Hydrochloride

2. 52446-25-0

3. T3m7lq6q2y

4. 7,8-dihydro-14-hydroxynorcodeinone Hydrochloride

5. (4r,4as,7ar,12bs)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride

6. Thecodinum

7. Dinarkon

8. Eucodal

9. Eukodal

10. Eutagen

11. Oxygesic

12. Oxykodal

13. Oxynorm

14. Rexista

15. Stupenone

16. Tecodin

17. Tecodine

18. Tekodin

19. Thecodin

20. Thecodine

21. Thekodin

22. Oxikon

23. Oxycon

24. Oxykon

25. Oxycodone Xr

26. (4r,4as,7ar,12bs)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride

27. Percodan Hydrochloride

28. Unii-c1enj2te6c

29. Unii-t3m7lq6q2y

30. Einecs 204-717-1

31. Oxycodone Hydrochloride [usan:usp:jan]

32. Noroxycodone Hydrochloride 1.0 Mg/ml In Methanol (as Free Base)

33. 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-morphinan-6-one, Hydrochloride, (5-alpha)-

34. Morphinan-6-one, 4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, Hydrochloride

35. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, Hydrochloride (1:1), (5alpha)-

36. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, Hydrochloride, (5.alpha.)-

37. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, Hydrochloride, (5alpha)-

38. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, Hydrochloride, (5alpha)-

39. 4,5alpha-epoxy-14-hydroxy-3-methoxymorphinan-6-one Hydrochloride (noroxycodone Hydrochloride)

40. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, Hydrochloride (1:1), (5.alpha.)-

41. Noroxycodone Hydrochloride Solution, 1.0 Mg/ml In Methanol (as Free Base), Ampule Of 1 Ml, Certified Reference Material

2.4 Create Date

2015-11-02

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₀ClNO₄
Molecular Weight	337.8 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	337.1080858 g/mol
Monoisotopic Mass	337.1080858 g/mol
Topological Polar Surface Area	67.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	525
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	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Analgesics, Opioid

Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS. (See all compounds classified as Analgesics, Opioid.)

Narcotics

Agents that induce NARCOSIS. Narcotics include agents that cause somnolence or induced sleep (STUPOR); natural or synthetic derivatives of OPIUM or MORPHINE or any substance that has such effects. They are potent inducers of ANALGESIA and OPIOID-RELATED DISORDERS. (See all compounds classified as Narcotics.)