Morphine hydrochloride trihydrateProduct ingredient for Morphine
- Name
- Morphine hydrochloride trihydrate
- Drug Entry
- Morphine
Morphine, the main alkaloid of opium, was first obtained from poppy seeds in 1805.1 It is a potent analgesic, though its use is limited due to tolerance, withdrawal, and the risk of abuse.2 Morphine is still routinely used today, though there are a number of semi-synthetic opioids of varying strength such as codeine, fentanyl, methadone, hydrocodone, hydromorphone, meperidine, and oxycodone.
Morphine was granted FDA approval in 1941.13
- Accession Number
- DBSALT003118
- Structure
Structure for Morphine hydrochloride trihydrate (DBSALT003118)
- Synonyms
- Morphine HCl hydrate / Morphine HCl trihydrate / Morphine hydrochloride hydrate
- UNII
- Q5F3AS69LF
- CAS Number
- 6055-06-7
- Weight
- Average: 375.85
Monoisotopic: 375.1448653 - Chemical Formula
- C17H26ClNO6
- InChI Key
- XELXKCKNPPSFNN-BJWPBXOKSA-N
- InChI
- InChI=1S/C17H19NO3.ClH.3H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;;;;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H;3*1H2/t10-,11+,13-,16-,17-;;;;/m0..../s1
- IUPAC Name
- (1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol trihydrate hydrochloride
- SMILES
- O.O.O.Cl.[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@H](C4)[C@]1([H])C=C[C@@H]2O
- External Links
- Predicted Properties
Property Value Source Water Solubility 10.2 mg/mL ALOGPS logP 0.99 ALOGPS logP 0.9 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 10.26 Chemaxon pKa (Strongest Basic) 9.12 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 52.93 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 80.12 m3·mol-1 Chemaxon Polarizability 29.96 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