Diprenorphine C-11
(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-(111C)methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
Molecular Identity
Diprenorphine C-11
(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-(111C)methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
PubChem CID: 6605255
2D Structure
Properties
C26H35NO4
Molecular Formula
424.60
Molecular Weight
g/mol
424.2680
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
62.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
783
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(14)
Diprenorphine C-11(11C)DiprenorphineH17QTP917EDiprenorphine-6-(methoxy-11C)-UNII-H17QTP917E[11C]Diprenorphine113707-17-86,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-(methoxy-11C)-alpha,alpha-dimethyl-, (5alpha,7alpha)-6,14-ETHENOMORPHINAN-7-METHANOL, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-18,19-DIHYDRO-3-HYDROXY-6-(METHOXY-11C)-.ALPHA.,.ALPHA.-DIMETHYL-, (5.ALPHA.,7.ALPHA.)-RefChem:200655[11C]DPNCHEMBL5415879SCHEMBL29427580[6-O-methyl-11C]Diprenorphine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Diprenorphine C-11
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