| SpectraBase Spectrum ID |
JIhZI6IJu1Q |
| Name |
Methadone |
| CAS Registry Number |
76-99-3 |
| Classification |
Pharmaceutical drug, narcotic analgesic |
| Comments |
Spectrum verified by crosschecking against external libraries (four reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| DEA Citation |
21 CFR §1308.12 (c) (15) |
| DEA Controlled Substance Name |
Methadone |
| DEA Controlled Substance Type |
Isomers, esters, ethers, salts, and salts of isomers, esters and ethers |
| DEA Controlled Substances Code Number |
9250 |
| DEA Schedule |
Schedule II |
| DEA Section |
Opiates. Unless specifically excepted or unless in another schedule any of the following opiates, including its isomers, esters, ethers, salts and salts of isomers, esters and ethers whenever the existence of such isomers, esters, ethers, and salts is possible within the specific chemical designation, dextrorphan and levopropoxyphene excepted |
| Exact Mass |
309.209264492 u |
| Formula |
C21H27NO |
| InChI |
InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 |
| InChIKey |
USSIQXCVUWKGNF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
309.453 g/mol |
| Nominal Mass |
309 u |
| Quality |
996 |
| Retention Index |
2148 |
| SMILES |
C(C=1C=CC=CC1)(C=1C=CC=CC1)(C(CC)=O)CC(N(C)C)C |
| SPLASH |
splash10-00di-9200000000-20d0673dbed1c2c8690f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-dimethylamino-4,4-diphenyl-heptan-3-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032320 |
