Basic information
- CAS
524713-56-2- Standard SMILES
[2H]C([2H])([2H])N1CCC23CCCCC2C1Cc1ccc(OC)cc13- InChIKey
MKXZASYAUGDDCJ-FIBGUPNXSA-N- Molecular formula
- C18H25NO
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.21244466
Names & identifiers
- Preferred name
- Dextromethorphan-d3
- IUPAC
- 4-methoxy-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
- English name
- DEXTROMETHORPHAN-D3
- Molecular formula
- C18H25NO
- Molecular weight
- 271.3972
Names & synonyms
Dextromethorphan-d3524713-56-24-methoxy-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trieneDextromethorphan-d3 (100 ug/mL in Methanol)SCHEMBL32683688AKOS030242373Dextromethorphan-d3 (CRM)Dextromethorphan-D3 solutiond-3-Methoxy-N-(Methyl-d3)MorphinanDextromethorphan hydrobromide saltDextromethorphan N-Trideuteromethyl(+)-3-Methoxy-N-(Methyl-d3)Morphinan
Show more names
Dextromethorphan-D3 solutionDextromethorphan-D3, 1mg/ml in MethanolDextromethorphan-D3, 0.1mg/ml in Methanol
Database identifiers
- CAS
524713-56-2- PubChem CID
- 45038915
- EC Number
- 803-955-9
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Melting point
- 105 · 105-110°C
- Flash point
- 9.7 °C · 9.7 °C - closed cup
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Methanol (Soluble)
- form
- liquid
- Major Application
- forensics and toxicology
- InChI
- 1S/C18H25NO/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/t15-,17+,18+/m1/s1/i1D3
- InChIKey
- MKXZASYAUGDDCJ-GQJJTUARSA-N
- SMILES
- [2H]C([2H])([2H])N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4ccc(OC)cc34
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301+H311+H331-H370
- Precautionary statements
- 210 · P210-P260-P280-P301+P310-P311
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 1
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 11-23/24/25-39/23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
- Storage Class
- 3 - Flammable liquids
- target organs
- Eyes,Central nervous system
- Hazard statements
- H225-H301+H311+H331-H370
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
- Precautionary statements
- P210-P260-P280-P301+P310-P311
Chemistry & industry
Applications
UsesA labelled Dextromethorphan. An antitussive drug. Orally active synthetic morphine analog. Analgesic (narcotic).
General DescriptionDextromethorphan, also known as DXM or DM, is an opiate cough suppressant also used recreationally as an illicit drug and hallucinogen. This stable labeled internal standard is suitable for numerous GC/MS and LC/MS applications from clinical toxicology, urine drug testing, and forensic analysis to pain management testing and isotope dilution methods.
Suppliers11 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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