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buprenorphine

Properties

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Occurences in reactions

MNX_ID

MNXM736291

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₉H₄₁NO₄

charge

mass

467.30356

reference

chebi:3216

InChIKey

RMRJXGBAOAMLHD-IHFGGWKQSA-N

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/t20-,21-,24-,26+,27-,28+,29-/m1/s1

SMILES

CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3216 chebi:3216	buprenorphine (-)-buprenorphine (5alpha,6beta,14beta,18R)-17-(cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol 17-cyclopropylmethyl-4,5alpha-epoxy-7alpha-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol 2-(N-cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-6alpha-yl)-3,3-dimethyl-2-butanol 2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(14R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-3,3-dimethyl-2-butanol 21-cyclopropyl-7alpha-[(S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine Buprenorphine buprenorfina buprenorphinum
sabiork.compound:10109 sabiorkM:10109 seed.compound:cpd05003 seedM:cpd05003 kegg.compound:C08007 keggC:C08007	Buprenorphine
kegg.drug:D07132 keggD:D07132	Buprenorphine (JAN/INN) Temgesic (TN)
hmdb:HMDB0015057	Buprenorphine (-)-Buprenorphine (1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1²,⁸.0¹,⁶.0⁶,¹⁴.0⁷,¹²]icosa-7,9,11-trien-11-ol 17-Cyclopropylmethyl-4,5a-epoxy-7a-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol 17-Cyclopropylmethyl-4,5alpha-epoxy-7alpha-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol 2-(N-Cyclopropylmethyl-4,5a-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-6a-yl)-3,3-dimethyl-2-butanol 2-(N-Cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-6alpha-yl)-3,3-dimethyl-2-butanol 2-[3-Cyclopropylmethyl-11-hydroxy-15-methoxy-(14R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-3,3-dimethyl-2-butanol 21-Cyclopropyl-7a-[(S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine 21-Cyclopropyl-7alpha-[(S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine Buprenex Buprenophine Buprenorfina Buprenorphine grünenthal brand Buprenorphine hydrochloride Buprenorphinum Buprex Essex brand OF buprenorphine hydrochloride Grünenthal brand OF buprenorphine Grünenthal brand OF buprenorphine hydrochloride Hydrochloride, buprenorphine Key brand OF buprenorphine hydrochloride Prefin RX 6029 m RX-6029-m Reckitt and colman brand 1 OF buprenorphine hydrochloride Reckitt and colman brand 2 OF buprenorphine hydrochloride Reckitt benckiser brand OF buprenorphine hydrochloride Reckitt brand OF buprenorphine hydrochloride Schering plough brand OF buprenorphine hydrochloride Schering-plough brand OF buprenorphine hydrochloride Subutex Temgésic Temgesic buprenorphine
metacyc.compound:CPD-22086 metacycM:CPD-22086	buprenorphine
hmdb:HMDB15057 chebi:143179 chebi:166254 chebi:453763 chebi:489640 chebi:656608 keggC:M_C08007 keggD:M_D07132 seedM:M_cpd05003	secondary/obsolete/fantasy identifier