Buprenorphine Hydrochloride; Naloxone Hydrochloride
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(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-ol
Molecular Identity
Buprenorphine Hydrochloride; Naloxone Hydrochloride
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(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-ol
PubChem CID: 11274356
2D Structure
Properties
C48H62N2O8
Molecular Formula
795.00
Molecular Weight
g/mol
794.4506
Exact Mass
Da
132
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
10
H-Bond Acceptors
1460
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O.C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)OIsomeric SMILES
SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O.C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)OSynonyms(20)
BunavailZubsolvBuprenorphine hydrochloride and naloxone hydrochlorideCassipaRefChem:56708naloxone hydrochloride/buprenorphine hydrochloridenaloxone hydrochloride;buprenorphine hydrochloridebuprenorphine hydrochloride, naloxone hydrochlorideBuprenorphine Hydrochloride; Naloxone Hydrochloridenaloxone hydrochloride / buprenorphine hydrochlorideBUPRENORPHINE HYDROCHLORIDE/NALOXONE HYDROCHLORIDEBUPRENORPHINE HYDROCHLORIDE;NALOXONE HYDROCHLORIDEBUPRENORPHINE HYDROCHLORIDE / NALOXONE HYDROCHLORIDEBUPRENORPHINE / NALOXONEBuprenorphine/Naloxone
Data from PubChem (NCBI)
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Molecular Structure
Buprenorphine Hydrochloride; Naloxone Hydrochloride
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Drug Network
Trials and conditions connected to Buprenorphine Hydrochloride; Naloxone Hydrochloride
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