Orp-101
(2S)-2-[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11-[2-[[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl]oxy]ethoxy]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol
Molecular Identity
Orp-101
(2S)-2-[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11-[2-[[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl]oxy]ethoxy]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol
PubChem CID: 92042890
2D Structure
Properties
C60H84N2O8
Molecular Formula
961.30
Molecular Weight
g/mol
960.6228
Exact Mass
Da
9.9
XLogP
Above Lipinski threshold
102
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
1940
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OCCOC7=C8C9=C(CC1C23C9(CCN1CC1CC1)C(O8)C(CC2)(C(C3)C(C)(C(C)(C)C)O)OC)C=C7)O4)CC1CC1)OC)OIsomeric SMILES
SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OCCOC7=C8C9=C(C[C@@H]1[C@@]23[C@]9(CCN1CC1CC1)[C@@H](O8)[C@@](CC2)([C@H](C3)[C@@](C)(C(C)(C)C)O)OC)C=C7)O4)CC1CC1)OC)(C(C)(C)C)OSynonyms(12)
Buprenorphine dimerORP-101SE6KE496VOUNII-SE6KE496VO1820753-68-16,14-Ethenomorphinan-7-methanol, 3,3'-(1,2-ethanediylbis(oxy))bis(17-(cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-6-methoxy-alpha-methyl-, (alphaS,5alpha,7alpha)-(alpha'S,5'alpha,7'alpha)-6,14-ETHENOMORPHINAN-7-METHANOL, 3,3'-(1,2-ETHANEDIYLBIS(OXY))BIS(17-(CYCLOPROPYLMETHYL)-.ALPHA.-(1,1-DIMETHYLETHYL)-4,5-EPOXY-18,19-DIHYDRO-6-METHOXY-.ALPHA.-METHYL-, (.ALPHA.S,5.ALPHA.,7.ALPHA.)-(.ALPHA.'S,5'.ALPHA.,7'.ALPHA.)-RefChem:168581orb1739336CHEMBL4594402SCHEMBL19231198EX-A6870
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Orp-101
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