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Chemistry

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Also known as: 36304-84-4, Astomin, Dimemorfan phosphate [jan], S203y5y1qp, Dimemorfan (phosphate), (1s,9s,10s)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;phosphoric acid
Molecular Formula
C18H28NO4P
Molecular Weight
353.4  g/mol
InChI Key
ODJHDWLIOUGPPA-URVXVIKDSA-N
FDA UNII
S203Y5Y1QP

Dimemorfanphosphate
1 2D Structure

Dimemorfanphosphate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S,9S,10S)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;phosphoric acid
2.1.2 InChI
InChI=1S/C18H25N.H3O4P/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2;1-5(2,3)4/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3;(H3,1,2,3,4)/t15-,17+,18+;/m1./s1
2.1.3 InChI Key
ODJHDWLIOUGPPA-URVXVIKDSA-N
2.1.4 Canonical SMILES
CC1=CC2=C(CC3C4C2(CCCC4)CCN3C)C=C1.OP(=O)(O)O
2.1.5 Isomeric SMILES
CC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3C)C=C1.OP(=O)(O)O
2.2 Other Identifiers
2.2.1 UNII
S203Y5Y1QP
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Astomin

2. At 17

3. D-3-methyl-n-methylmorphinan

4. Dastosin

5. Dimemorfan

6. Dimemorfan Phosphate (1:1) Salt

7. Dimemorfan, (9alpha,13alpha,14alpha)-isomer

8. Dinemorphan

2.3.2 Depositor-Supplied Synonyms

1. 36304-84-4

2. Astomin

3. Dimemorfan Phosphate [jan]

4. S203y5y1qp

5. Dimemorfan (phosphate)

6. (1s,9s,10s)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;phosphoric Acid

7. 3,17-dimethylmorphinan

8. Gentus

9. At-17 Phosphate

10. Unii-s203y5y1qp

11. Einecs 252-958-6

12. D-3-methyl-n-methylmorphinan Phosphate

13. Ncgc00182065-02

14. Dsstox_cid_28649

15. Dsstox_rid_82919

16. Dsstox_gsid_48723

17. Schembl355270

18. Chembl3188434

19. Dtxsid4048723

20. Dimemorfan Phosphate [mi]

21. 3,17-dimethyl-9-alpha,13-alpha,14-alpha-morphinan Phosphate

22. (9-alpha,13-alpha,14-alpha)-3,17-dimethylmorphinan Phosphate

23. Hy-b2215

24. Tox21_113138

25. (9alpha,13alpha,14alpha)-3,17-dimethylmorphinan Dihydrogen Phosphate

26. Dimemorfan Phosphate [mart.]

27. S5280

28. Dimemorfan Phosphate [who-dd]

29. Akos015994725

30. Ccg-268065

31. Cs-7664

32. Ks-1259

33. 3,17-dimethylmorphinan Phosphate

34. Cas-36304-84-4

35. Morphinan, 3,17-dimethyl-, Phosphate (1:1)

36. Q27288466

37. Morphinan, 3,17-dimethyl-, (9-alpha,13-alpha,14-alpha)-, Phosphate (1:1)

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 353.4 g/mol
Molecular Formula C18H28NO4P
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass353.17559537 g/mol
Monoisotopic Mass353.17559537 g/mol
Topological Polar Surface Area81 Ų
Heavy Atom Count24
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antitussive Agents

Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally. (See all compounds classified as Antitussive Agents.)


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