Diamorphine hydrochlorideProduct ingredient for Diamorphine
- Name
- Diamorphine hydrochloride
- Drug Entry
- Diamorphine
Diamorphine (heroin) is 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) Internationally, diamorphine is controlled under Schedules I and IV of the Single Convention on Narcotic Drugs. As heroin, it is illegal to manufacture, possess, or sell in the United States and the UK. However, under the name diamorphine, heroin is a legal prescription drug in the United Kingdom.
- Accession Number
- DBSALT000095
- Structure
Structure for Diamorphine hydrochloride (DBSALT000095)
- Synonyms
- Diamorphine HCl / Heroin HCl
- UNII
- 8H672SHT8E
- CAS Number
- 1502-95-0
- Weight
- Average: 405.872
Monoisotopic: 405.13430059 - Chemical Formula
- C21H24ClNO5
- InChI Key
- FZJYQGFGNHGSFX-PVQKIFDLSA-N
- 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
- IUPAC Name
- (1S,5R,13R,14S,17R)-10-(acetyloxy)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-yl acetate hydrochloride
- SMILES
- Cl.[H][C@@]12C=C[C@H](OC(C)=O)[C@@H]3OC4=C(OC(C)=O)C=CC5=C4[C@]13CCN(C)[C@@H]2C5
- External Links
- PubChem Compound
- 5497159
- ChemSpider
- 4593729
- ChEMBL
- CHEMBL2106627
- Predicted Properties
Property Value Source Water Solubility 0.266 mg/mL ALOGPS logP 2.3 ALOGPS logP 1.55 Chemaxon logS -3.1 ALOGPS pKa (Strongest Basic) 9.1 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 65.07 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 98.43 m3·mol-1 Chemaxon Polarizability 38.29 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon