Chemical Properties of BUPRENORPHINE

BUPRENORPHINE

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
InChI Key
RMRJXGBAOAMLHD-UHFFFAOYSA-N
Formula
C29H41NO4
SMILES
COC12CCC3(CC1C(C)(O)C(C)(C)C)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5
Molecular Weight1
467.65
Other Names
  • 17-(Cyclopropylmethyl)-«alpha»-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-6-methoxy-«alpha»-methyl-6,14-ethenomorphinan-7-methanol
  • 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))-
  • RX 6029M
  • 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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
logPoct/wat 4.414 Crippen Calculated Property
McVol 364.010 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 26.80 kJ/mol 491.30 NIST

Similar Compounds

Nalmefene. DIHYDROERGOTAMINE. Strychnine. Dehydrojaconine. ERGOTAMINE. DIHYDROERGOKRYPTINE. 3-O,6-O,N-Triacetylnormorphine. Xanthine riboside, TMS. Diacetylmorphine. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Ergocristine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Benzylmorphine. OXYCOLCHICINE.

Find more compounds similar to BUPRENORPHINE.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.