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Also known as: 1373497-18-7, D6-dm hydrobromide, Dextromethorphan d6 hbr hydrate, Dextromethorphan d6 hydrobromide monohydrate, W9f1od5n5j, D6-dm hydrobromide monohydrate

Molecular Formula

C₁₈H₂₈BrNO₂

Molecular Weight

376.4 g/mol

InChI Key

STTADZBLEUMJRG-CDZAPMPLSA-N

FDA UNII

W9F1OD5N5J

1 2D Structure

Deudextromethorphan Hydrobromide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S,9S,10S)-4-(trideuteriomethoxy)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrate;hydrobromide

2.1.2 InChI

InChI=1S/C18H25NO.BrH.H2O/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H;1H2/t15-,17+,18+;;/m1../s1/i1D3,2D3;;

2.1.3 InChI Key

STTADZBLEUMJRG-CDZAPMPLSA-N

2.1.4 Canonical SMILES

CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC.O.Br

2.1.5 Isomeric SMILES

[2H]C([2H])([2H])N1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC([2H])([2H])[2H].O.Br

2.2 Other Identifiers

2.2.1 UNII

W9F1OD5N5J

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1373497-18-7

2. D6-dm Hydrobromide

3. Dextromethorphan D6 Hbr Hydrate

4. Dextromethorphan D6 Hydrobromide Monohydrate

5. W9f1od5n5j

6. D6-dm Hydrobromide Monohydrate

7. (1s,9s,10s)-4-(trideuteriomethoxy)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrate;hydrobromide

8. Deudextromethorphan Hydrobromide [usan]

9. Deudextromethorphan Hydrobromide Monohydrate

10. Deudextromethorphan Hydrobromide (usan)

11. Unii-w9f1od5n5j

12. Dextromethorphan Hydrobromide, Deuterated (d6)

13. Chembl3989946

14. Morphinan, 3-(methoxy-d3)-17-(methyl-d3)-, (9alpha,13alpha,14alpha)-hydrobromide Monohydrate

15. D11153

16. Q27292496

17. Avp-786 Component Deudextromethorphan Hydrobromide

18. Deudextromethorphan Hydrobromide Component Of Avp-786

19. 3-((2h3)methoxy)-17-((2h3)methyl)-ent-morphinan Hydrobromide Monohydrate

20. Morphinan, 3-(methoxy-d3)-17-(methyl-d3)-, (9.alpha.,13.alpha.,14.alpha.)-hydrobromide Monohydrate

2.4 Create Date

2015-02-20

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₈BrNO₂
Molecular Weight	376.4 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	375.16800 g/mol
Monoisotopic Mass	375.16800 g/mol
Topological Polar Surface Area	13.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	370
Isotope Atom Count	6
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3