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Chemistry

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Also known as: Ethylmorphine hcl, Codethyline hydrochloride, 125-30-4, O-ethylmorphine hydrochloride, Mfm5450p3t, (4r,4ar,7s,7ar,12bs)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride

Molecular Formula

C₁₉H₂₄ClNO₃

Molecular Weight

349.8 g/mol

InChI Key

ZPPBASOODYCKDP-YZZSNFJZSA-N

FDA UNII

MFM5450P3T

1 2D Structure

Ethylmorphine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4R,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride

2.1.2 InChI

InChI=1S/C19H23NO3.ClH/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18;/h4-7,12-14,18,21H,3,8-10H2,1-2H3;1H/t12-,13+,14-,18-,19-;/m0./s1

2.1.3 InChI Key

ZPPBASOODYCKDP-YZZSNFJZSA-N

2.1.4 Canonical SMILES

CCOC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(C=C5)O)C=C1.Cl

2.1.5 Isomeric SMILES

CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1.Cl

2.2 Other Identifiers

2.2.1 UNII

MFM5450P3T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Ethylmorphine Hcl

2. Codethyline Hydrochloride

3. 125-30-4

4. O-ethylmorphine Hydrochloride

5. Mfm5450p3t

6. (4r,4ar,7s,7ar,12bs)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride

7. Dionin Hydrochloride

8. Dionine Hydrochloride

9. Unii-mfm5450p3t

10. 3-o-ethylmorphine Hydrochloride

11. Einecs 204-734-4

12. Ethylmorphine Hydrochloride [jan:nf]

13. Schembl220710

14. Chembl2107695

15. Dtxsid70924986

16. Ethylmorphine Hydrochloride [who-dd]

17. Ethylmorphine Hydrochloride [ep Monograph]

18. Ethylmorphine Hydrochloride Anhydrous [mi]

19. Q26840900

20. Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-ethoxy-17-methyl-, Hydrochloride

21. (5.alpha.,6.alpha.)-7,8-didehydro-4,5-epoxy-3-ethoxy-17-methylmorphinan-6-ol Hydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₄ClNO₃
Molecular Weight	349.8 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	349.1444713 g/mol
Monoisotopic Mass	349.1444713 g/mol
Topological Polar Surface Area	41.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	523
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2