Chem
J-GLOBAL ID:200907080064209411
Nikkaji number:J294.533I
Norbinaltorphimine
ノルビナルトルフィミン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C40 H43 N3 O6
Molecular formula furigana:
C40-H43-N3-O6
Molecular weight:
661.799
InChI:
InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
InChI key:
APSUXPSYBJVPPS-YAUKWVCOSA-N
SMILES:
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Systematic name (1):
(4bS,8R,14aS)-7,12-ビス(シクロプロピルメチル)-5,6,7,8,9,10,11,12,13,14,19aα,20bβ-ドデカヒドロ-4,8α:11β,15-ジメタノ-20H-ビスベンゾフロ[2,3-a:3′,2′-i]ジピリド[4,3-b:3′,4′-h]カルバゾール-1,8aβ,10aα,18-テトラオール
Other name (4):
(4bS,8R,14aS)-7,12-Bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19aα,20bβ-dodecahydro-4,8α:11β,15-dimethano-20H-bisbenzofuro[2,3-a:3′,2′-i]dipyrido[4,3-b:3′,4′-h]carbazole-1,8aβ,10aα,18-tetrol
ノルビナルトルフィミン
Norbinaltorphimine
norBNI
CAS registry number:
105618-26-6
Application (1):
narcotic antagonist
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