Marvin 04231012572D 35 41 0 0 1 0 999 V2000 8.9967 -9.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1661 -9.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 -9.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 -11.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9967 -7.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -11.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 -7.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9988 -8.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3356 -9.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4563 -9.7227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1661 -7.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1661 -11.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3356 -7.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -10.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -10.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0199 -8.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0643 -9.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 -5.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7952 -8.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4563 -8.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7952 -7.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0621 -7.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1661 -5.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -5.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7065 -5.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6945 -11.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5129 -11.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3646 -13.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7106 -13.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0419 -14.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7119 -14.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7031 -15.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3646 -15.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8643 -12.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8643 -13.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 5 1 1 0 0 0 0 1 16 1 1 0 0 0 9 2 1 0 0 0 0 12 2 1 0 0 0 0 2 14 1 6 0 0 0 3 8 1 6 0 0 0 6 4 1 0 0 0 0 4 15 1 6 0 0 0 7 5 1 0 0 0 0 11 5 2 0 0 0 0 12 6 1 0 0 0 0 18 7 2 0 0 0 0 8 7 1 0 0 0 0 9 10 1 1 0 0 0 13 9 1 0 0 0 0 20 10 1 0 0 0 0 17 10 1 0 0 0 0 13 11 1 0 0 0 0 23 11 1 0 0 0 0 15 14 1 0 0 0 0 20 16 1 0 0 0 0 19 17 1 0 0 0 0 25 18 1 0 0 0 0 24 18 1 0 0 0 0 21 19 1 0 0 0 0 22 19 1 0 0 0 0 22 21 1 0 0 0 0 24 23 2 0 0 0 0 4 3 1 0 0 0 0 26 4 1 0 0 0 0 27 26 1 0 0 0 0 6 28 1 1 0 0 0 6 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 6 0 0 0 29 35 1 0 0 0 0 M END > CHEBI:3216 > buprenorphine > A morphinane alkaloid that is 7,8-dihydromorphine 6-O-methyl ether in which positions 6 and 14 are joined by a -CH2CH2- bridge, one of the hydrogens of the N-methyl group is substituted by cyclopropyl, and a hydrogen at position 7 is substituted by a 2-hydroxy-3,3-dimethylbutan-2-yl group. It is highly effective for the treatment of opioid use disorder and is also increasingly being used in the treatment of chronic pain. > 3 > CHEBI:489640; CHEBI:143179; CHEBI:453763; CHEBI:166254; CHEBI:656608 > Buprenorphine; 21-cyclopropyl-7alpha-[(S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine; 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; 2-(N-cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-6alpha-yl)-3,3-dimethyl-2-butanol; 17-cyclopropylmethyl-4,5alpha-epoxy-7alpha-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol; (-)-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 > buprenorphinum; buprenorphine; buprenorfina > C29H41NO4 > 467.64010 > 467.30356 > 0 > [H][C@@]1(C[C@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5C[C@H]2N(CC[C@@]31c45)CC1CC1)[C@](C)(O)C(C)(C)C > 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 > RMRJXGBAOAMLHD-IHFGGWKQSA-N > 6182863 > 52485-79-7 > 52485-79-7 > DB00921 > C08007 > D07132 > CPD-22086 > 52485-79-7 > Buprenorphine > PMC7711199 > 11303059; 15181649; 15781180; 16642964; 18997874; 19402772; 32925232; 33378137; 17887741; 10649968; 16650985 $$$$