| SpectraBase Spectrum ID |
2GG5WoUUPkV |
| Name |
Buprenorphine |
| CAS Registry Number |
52485-79-7 |
| Classification |
Potent analgesic |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
467.303558800 u |
| Formula |
C29H41NO4 |
| InChI |
InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)21-13-27-10-11-29(21,33-5)24-28(27)16-30(14-17-6-7-17)15-19(27)12-18-8-9-20(31)23(34-24)22(18)28/h8-9,17,19,21,24,31-32H,6-7,10-16H2,1-5H3/t19-,21?,24?,26?,27+,28-,29+/m0/s1 |
| InChIKey |
RWXJSCSDEDOTMN-LMJBQUDVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
467.650 g/mol |
| SMILES |
C1CC1CN1C[C@@]2(Cc3ccc(c4c3[C@@]3([C@]22CC([C@](CC2)(C3O4)OC)C(C(C)(C)C)(C)O)C1)O)[H] |
| SPLASH |
splash10-056r-7669700000-ea3b536c4bbae2b1c038 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: G |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_212 |
