Marvin 04231015082D 36 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 3 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 13.9410 -11.7777 0.0000 Cl 0 5 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 CHG 2 10 1 36 -1 M END > CHEBI:652822 > buprenorphine hydrochlorie > The hydrochloride salt of buprenorphine. > 3 > CHEBI:3217; CHEBI:396026 > Buprenorphine hydrochloride; buprenorphine HCl; 21-cyclopropyl-7alpha-[(S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine hydrochloride; 2-(N-cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-6alpha-yl)-3,3-dimethyl-2-butanol hydrochloride; 17-cyclopropylmethyl-4,5alpha-epoxy-7alpha-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol hydrochloride; (5alpha,6beta,14beta,18R)-17-(cyclopropylmethyl)-3-hydroxy-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-17-ium chloride; (-)-buprenorphine hydrochloride > (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 hydrochloride > Belbuca > C29H42ClNO4 > 504.10100 > 503.28024 > 0 > [Cl-].[H][C@@]1(C[C@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5C[C@H]2[NH+](CC[C@@]31c45)CC1CC1)[C@](C)(O)C(C)(C)C > InChI=1S/C29H41NO4.ClH/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;1H/t20-,21-,24-,26+,27-,28+,29-;/m1./s1 > UAIXRPCCYXNJMQ-RZIPZOSSSA-N > 6362066 > 53152-21-9 > 53152-21-9 > DB00921 > D00836 > 11585443 $$$$