Dextromethorphan hydrobromide monohydrateProduct ingredient for Dextromethorphan
- Name
- Dextromethorphan hydrobromide monohydrate
- Drug Entry
- Dextromethorphan
Dextromethorphan is a levorphanol derivative and codeine analog commonly used as a cough suppressant and also a drug of abuse.11 Although similar in structure to other opioids, it has minimal interaction with opioid receptors.11
Dextromethorphan was granted FDA approval before 3 December 1957.11,17
- Accession Number
- DBSALT001898
- Structure
Structure for Dextromethorphan hydrobromide monohydrate (DBSALT001898)
- Synonyms
- Dextromethorphan hydrobromide
- UNII
- 9D2RTI9KYH
- CAS Number
- 6700-34-1
- Weight
- Average: 370.331
Monoisotopic: 369.130342 - Chemical Formula
- C18H28BrNO2
- InChI Key
- STTADZBLEUMJRG-IKNOHUQMSA-N
- 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
- IUPAC Name
- (1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene hydrate hydrobromide
- SMILES
- O.Br.[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2
- External Links
- ChemSpider
- 10481986
- ChEBI
- 4471
- ChEMBL
- CHEMBL1256818
- Predicted Properties
Property Value Source Water Solubility 0.00851 mg/mL ALOGPS logP 3.75 ALOGPS logP 3.49 Chemaxon logS -4.5 ALOGPS pKa (Strongest Basic) 9.85 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 12.47 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 82.56 m3·mol-1 Chemaxon Polarizability 31.66 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon