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buprenorphine

MNXM736292 is deprecated and replaced by MNXM736291
PropertiesImage
MNX_IDMNXM736291 Image of MNXM736291
referencechebi:3216
formulaC29H41NO4
global charge0
mol weight467.65
InChIKeyRMRJXGBAOAMLHD-IHFGGWKQSA-N
InChIInChI=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
SMILESCO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=CC=C(O)C5=C4[C@@]3(CCN1CC1CC1)[C@H]2O5
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM736291
SMILES (mnx)[CH3:1][C:25]([CH3:2])([CH3:3])[C@:26]([CH3:4])([C@H:20]1[CH2:15][C@@:27]23[CH2:10][CH2:11][C@:29]1([O:33][CH3:5])[C@H:24]1[C@@:28]24[CH2:12][CH2:13][N:30]([CH2:16][CH:17]2[CH2:6][CH2:7]2)[C@@H:21]3[CH2:14][C:18]2=[C:22]4[C:23](=[C:19]([OH:31])[CH:9]=[CH:8]2)[O:34]1)[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:3216
chebi:3216
RMRJXGBAOAMLHD-IHFGGWKQSA-N 		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

seed.compound:cpd05003
seedM:cpd05003
sabiork.compound:10109
sabiorkM:10109
kegg.compound:C08007
keggC:C08007
RMRJXGBAOAMLHD-IHFGGWKQSA-N
RMRJXGBAOAMLHD-IHFGGWKQSA-O 		Buprenorphine

kegg.drug:D07132
keggD:D07132
RMRJXGBAOAMLHD-IHFGGWKQSA-N 		Buprenorphine (JAN/INN)
Temgesic (TN)
hmdb:HMDB0015057
RMRJXGBAOAMLHD-IHFGGWKQSA-N 		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 gruenenthal brand
Buprenorphine hydrochloride
Buprenorphinum
Buprex
Essex brand OF buprenorphine hydrochloride
Gruenenthal brand OF buprenorphine
Gruenenthal 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
Temgesic
buprenorphine

metacyc.compound:CPD-22086
metacycM:CPD-22086
RMRJXGBAOAMLHD-IHFGGWKQSA-N 		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