| SpectraBase Spectrum ID |
CQzLvdJ9z1y |
| Name |
Buprenorphine |
| CAS Registry Number |
52485-79-7 |
| Classification |
Pharmaceutical drug, narcotic analgesic |
| Comments |
Spectrum verified by crosschecking against external libraries (five 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 §1308.13 (e) (2) (i) |
| DEA Controlled Substance Form |
Any compound, mixture or preparation |
| DEA Controlled Substance Name |
Buprenorphine |
| DEA Controlled Substance Type |
Salts |
| DEA Controlled Substances Code Number |
9064 |
| DEA Schedule |
Schedule III |
| DEA Section |
Narcotic Drugs. Unless specifically excepted or unless listed in another schedule |
| Exact Mass |
467.303558800 u |
| Formula |
C29H41NO4 |
| InChI |
InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20?,21-,24-,26+,27-,28+,29-/m1/s1 |
| InChIKey |
RMRJXGBAOAMLHD-UGIYAZKDSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
467.650 g/mol |
| Nominal Mass |
467 u |
| Quality |
996 |
| Retention Index |
3427 |
| SMILES |
O[C@@](C1C[C@]23[C@@]45C6=C(C(=CC=C6C[C@]3(N(CC5)CC3CC3)[H])O)O[C@]4([C@]1(CC2)OC)[H])(C(C)(C)C)C |
| SPLASH |
splash10-056r-7779500000-04a481fe0e8fc2431a55 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(6R,7R,14S)-17-cyclopropylmethyl-7,8-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6-O-\rmethyl-6,14-ethano-17-normorphine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032505 |
