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Heroin Hydrochloride

Heroin Hydrochloride

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Also known as: Diamorphine hydrochloride, Diacetylmorphine hydrochloride, 1502-95-0, Diacetylmorphine hcl, Heroine hydrochloride, (-)-heroin hydrochloride

Molecular Formula

C₂₁H₂₄ClNO₅

Molecular Weight

405.9 g/mol

InChI Key

FZJYQGFGNHGSFX-PVQKIFDLSA-N

FDA UNII

8H672SHT8E

A narcotic analgesic that may be habit-forming. It is a controlled substance (opium derivative) listed in the U.S. Code of Federal Regulations, Title 21 Parts 329.1, 1308.11 (1987). Sale is forbidden in the United States by Federal statute. (Merck Index, 11th ed)

1 2D Structure

(-)-Heroin hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C21H23NO5.ClH/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20;/h4-7,14-15,17,20H,8-10H2,1-3H3;1H/t14-,15+,17-,20-,21-;/m0./s1

2.1.3 InChI Key

FZJYQGFGNHGSFX-PVQKIFDLSA-N

2.1.4 Canonical SMILES

CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C.Cl

2.1.5 Isomeric SMILES

CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C.Cl

2.2 Other Identifiers

2.2.1 UNII

8H672SHT8E

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Diacetylmorphine

2. Diacetylmorphine Hydrochloride

3. Diagesil

4. Diamorf

5. Diamorphine

6. Heroin

7. Hydrochloride, Diacetylmorphine

8. Hydrochloride, Heroin

9. Min I Jet Morphine Sulphate

10. Min-i-jet Morphine Sulphate

2.3.2 Depositor-Supplied Synonyms

1. Diamorphine Hydrochloride

2. Diacetylmorphine Hydrochloride

3. 1502-95-0

4. Diacetylmorphine Hcl

5. Heroine Hydrochloride

6. (-)-heroin Hydrochloride

7. Heroin Hydrochloride Solution

8. O,o'-diacetylmorphine Hydrochloride

9. Nsc-302357

10. 8h672sht8e

11. Diacetylmorphine Hydrochloride Ci

12. Morphine, Diacetate (ester), Hydrochloride

13. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, Diacetate

14. Morphinan-3,6alpha-diol, 7,8-didehydro-4,5alpha-epoxy-17-methyl-,

15. Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, Diacetate (ester), Hydrochloride

16. Einecs 216-124-5

17. Nsc 302357

18. Unii-8h672sht8e

19. Diamorphine (tn)

20. Heroin, Hydrochloride

21. Diamorphine, Hydrochloride

22. Ncgc00247702-01

23. Dsstox_cid_28835

24. Dsstox_rid_83104

25. Dsstox_gsid_48909

26. Schembl116481

27. Chembl2106627

28. Dtxsid2048909

29. Diamorphine Hydrochloride Anhydrous

30. Baa50295

31. Tox21_112854

32. Diacetylmorphine Hydrochloride [usp]

33. Nsc302357

34. Diamorphine Hydrochloride [mart.]

35. Diamorphine Hydrochloride [who-dd]

36. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5alpha,6alpha)-, Diacetate (ester), Hydrochloride

37. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5alpha,6alpha)-,diacetate (ester), Hydrochloride

38. Morphinan-3,6alpha-diol, 7,8-didehydro-4,5alpha-epoxy-17-methyl-, Diacetate (ester), Hydrochloride

39. Cas-1502-95-0

40. D07810

41. Diacetylmorphine Hydrochloride Ci [usp-rs]

42. Q27270475

43. Morphinan-3, 7,8-didehydro-4,5.alpha.-epoxy-17-methyl-, Diacetate (ester) Hydrochloride

44. Morphinan-3, 7,8-didehydro-4,5.alpha.-epoxy-17-methyl-, Diacetate (ester), Hydrochloride

45. Wln: T B6566 B6/co 4abbc R Bx Ho Pn Du Ght&&ttj Fov1 Jov1 P1 &gh

46. (5.alpha.,6.alpha.)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol Diacetate (ester) Hydrochloride

47. [(4r,4ar,7s,7ar,12bs)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] Acetate;hydrochloride

48. Heroin Hydrochloride Solution, 100 Mug/ml In Methanol, Analytical Standard, For Drug Analysis

49. Morphinan-3, 7,8-didehydro-4,5-epoxy-17-methyl- (5.alpha.,6.alpha.)-, Diacetate (ester), Hydrochloride

50. Morphinan-3, 7,8-didehydro-4,5-epoxy-17-methyl- (5.alpha.,6.alpha.)-,diacetate (ester), Hydrochloride

51. Morphinan-3, 7,8-didehydro-4,5-epoxy-17-methyl-, Diacetate (ester), Hydrochloride, (5.alpha.,6.alpha.)-

2.3.3 Other Synonyms

1. Heroin

2. Acetomorphine

3. Diamorphine

4. Acetomorfine

5. Diacetylmorfin

6. Aspron

7. Heroien

8. Morphacetin

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₄ClNO₅
Molecular Weight	405.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	405.1343006 g/mol
Monoisotopic Mass	405.1343006 g/mol
Topological Polar Surface Area	65.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	692
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

4 Drug and Medication Information

4.1 Drug Indication

Dependence to intravenous heroin use

5 Pharmacology and Biochemistry

5.1 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.)