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2D Structure
Also known as: Dimemorfan [inn], 3,17-dimethylmorphinan, 36309-01-0, 36304-82-2, (+)-3,17-dimethylmorphinan, 623oac38yu
Molecular Formula
C18H25N
Molecular Weight
255.4  g/mol
InChI Key
KBEZZLAAKIIPFK-NJAFHUGGSA-N
FDA UNII
623OAC38YU

1 2D Structure

2D Structure

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
2.1.2 InChI
InChI=1S/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3/t15-,17+,18+/m1/s1
2.1.3 InChI Key
KBEZZLAAKIIPFK-NJAFHUGGSA-N
2.1.4 Canonical SMILES
CC1=CC2=C(CC3C4C2(CCCC4)CCN3C)C=C1
2.1.5 Isomeric SMILES
CC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3C)C=C1
2.2 Other Identifiers
2.2.1 UNII
623OAC38YU
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Astomin

2. At 17

3. D-3-methyl-n-methylmorphinan

4. Dastosin

5. Dimemorfan Phosphate

6. Dimemorfan Phosphate (1:1) Salt

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

8. Dinemorphan

2.3.2 Depositor-Supplied Synonyms

1. Dimemorfan [inn]

2. 3,17-dimethylmorphinan

3. 36309-01-0

4. 36304-82-2

5. (+)-3,17-dimethylmorphinan

6. 623oac38yu

7. Dimemorfane

8. Dimemorphan

9. Dimemorfano

10. Dimemorfanum

11. (1s,9s,10s)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

12. D-3-methyl-n-methylmorphinan

13. 3,n-dimethylmorphinan

14. N,3-dimethylmorphinan

15. At 17

16. Dimemorfane [inn-french]

17. Dimemorfanum [inn-latin]

18. Dimemorfano [inn-spanish]

19. Unii-623oac38yu

20. 3,n-dimethylmorphinan [iupac]

21. Einecs 252-963-3

22. Dimemorfan [mi]

23. Dimemorfan [who-dd]

24. Schembl499349

25. Chembl2106325

26. Chebi:135048

27. Dtxsid301043335

28. Zinc4215661

29. Db13810

30. Q5277240

31. Morphinan, 3,17-dimethyl-, (9alpha,13alpha,14alpha)-

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 255.4 g/mol
Molecular Formula C18H25N
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass255.198699802 g/mol
Monoisotopic Mass255.198699802 g/mol
Topological Polar Surface Area3.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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.)


4.2 ATC Code

R - Respiratory system

R05 - Cough and cold preparations

R05D - Cough suppressants, excl. combinations with expectorants

R05DA - Opium alkaloids and derivatives

R05DA11 - Dimemorfan