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Buprenorphine
SpectraBase Compound ID 2bifb0fYvpY
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+/m0/s1
InChIKey RMRJXGBAOAMLHD-CNAAIXTJSA-N
Mol Weight 467.7 g/mol
Molecular Formula C29H41NO4
Exact Mass 467.303559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GoZhZ7FVGn
Name Buprenorphine
CAS Registry Number 52485-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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+/m0/s1
InChIKey RMRJXGBAOAMLHD-CNAAIXTJSA-N
Molecular Weight 467.650 g/mol
SMILES Oc1c2c3c(C[C@]4([C@@]56[C@]3(C([C@](C(C(C(C)(C)C)(O)C)C6)(CC5)OC)O2)CCN4CC2CC2)[H])cc1
SPLASH splash10-004i-3349600000-f55cbc174d31f0b036e5
Synonyms 6,14-Ethenomorphinan-3-ol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy-, (5alpha,7alpha)- 6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-.alpha.-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-.alpha.-methyl-, (5-.alpha.,7-.alpha.-(S))- Buprenex Buprenorfina Buprenorphinum Subutex Temgesic [5.alpha.,7.alpha.(S)]-17-(Cyclopropylmethyl)-.alpha.-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-.alpha.-methyl-6,14-ethenomorphinan-7-methanol [5alpha,7alpha(S)]- DEA NO. 9064 EINECS 257-950-6 RX 6029M
Wiley ID 1510001