Chem
J-GLOBAL ID：200907008578308670   Nikkaji number：J11.192I

Borreverine

ボレベリン
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： C32H40N4
Molecular formula furigana： C32-H40-N4
Molecular weight： 480.700
InChI： InChI=1S/C32H40N4/c1-20-18-24-27(30(2,3)19-20)28(29-22(14-16-33-4)21-10-6-8-12-25(21)34-29)31-15-17-36(5)32(24,31)35-26-13-9-7-11-23(26)31/h6-13,18,24,27-28,33-35H,14-17,19H2,1-5H3/t24-,27-,28-,31+,32+/m0/s1
InChI key： PHMBUGRSZKDHNS-QGEDZZHQSA-N
SMILES： CNCCc1c([nH]c2ccccc12)[C@@H]1[C@@H]2[C@H](C=C(C)CC2(C)C)[C@]23Nc4ccccc4[C@]12CCN3C
Systematic name  (3)：
  • N-メチル-2-[(4aS)-2,4a,10,10aα-テトラヒドロ-1,1,3,13-テトラメチル-1H,5H-4bβ,9bβ-(イミノエタノ)インデノ[1,2-b]インドール-10α-イル]-1H-インドール-3-(エタン-1-アミン)
  • メチル(2-{2-[(1S,9R,10S,15R,16R)-12,14,14,19-テトラメチル-8,19-ジアザペンタシクロ[7.7.3.01,9.02,7.010,15]ノナデカ-2,4,6,11-テトラエン-16-イル]-1H-インドール-3-イル}エチル)アミン
  • methyl(2-{2-[(1S,9R,10S,15R,16R)-12,14,14,19-tetramethyl-8,19-diazapentacyclo[7.7.3.01,9.02,7.010,15]nonadeca-2,4,6,11-tetraen-16-yl]-1H-indol-3-yl}ethyl)amine
Other name (3)：
  • ボレベリン
  • Borreverine
  • N-Methyl-2-[(4aS)-2,4a,10,10aα-tetrahydro-1,1,3,13-tetramethyl-1H,5H-4bβ,9bβ-(iminoethano)indeno[1,2-b]indol-10α-yl]-1H-indole-3-(ethan-1-amine)
CAS registry number： 51109-65-0
KEGG COMPOUND： C09082
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