Chemical Properties of Etorphine (CAS 14521-96-1)

Etorphine

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InChI
InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3
InChI Key
CAHCBJPUTCKATP-UHFFFAOYSA-N
Formula
C25H33NO4
SMILES
CCCC(C)(O)C1CC23C=CC1(OC)C1Oc4c(O)ccc5c4C12CCN(C)C3C5
Molecular Weight1
411.53
CAS
14521-96-1
Other Names
  • 6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-3-hydroxy-6-methoxy-«alpha»,17-dimethyl-«alpha»-propyl-, [5«alpha»,7«alpha»(R)]-
  • 6,14-endo-Ethenotetrahydrooripavine, 7«alpha»-(1-hydroxy-1-methylbutyl)-
  • 7«alpha»-Etorphine
  • 7,8-Dihydro-7-«alpha»-(1-(R)-hydroxy-1-methylbutyl)-O
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Physical Properties

Property Value Unit Source
log10WS -4.49 Crippen Calculated Property
logPoct/wat 3.164 Crippen Calculated Property
McVol 314.210 ml/mol McGowan Calculated Property
Inp [3033.00; 3033.00]   Show Hide
Inp 3033.00 NIST
Inp 3033.00 NIST
Inp 3033.00 NIST

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. 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.

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