Chemical Properties of Buprenorphine (CAS 52485-79-7)

Buprenorphine

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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
467.64
CAS
52485-79-7
Other Names
  • 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
  • 17-(Cyclopropylmethyl)-«alpha»-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-6-methoxy-«alpha»-methyl-6,14-ethenomorphinan-7-methanol
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Physical Properties

Property Value Unit Source
log10WS -5.72 Crippen Calculated Property
logPoct/wat 4.414 Crippen Calculated Property
McVol 364.010 ml/mol McGowan Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

Find more compounds similar to Buprenorphine.

Sources

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