Chem
J-GLOBAL ID:200907049452626283   Nikkaji number:J709.091I

6β-[[3-(3-Trifluoromethyl-3H-diazirin-3-yl)benzoyl]amino]-17-cyclopropylmethyl-4,5α-epoxymorphinan-3,14-diol

6β-[[3-(3-トリフルオロメチル-3H-ジアジリン-3-イル)ベンゾイル]アミノ]-17-シクロプロピルメチル-4,5α-エポキシモルフィナン-3,14-ジオール
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: C29H29F3N4O4
Molecular formula furigana: C29-H29-F3-N4-O4
Molecular weight: 554.570
InChI: InChI=1S/C29H29F3N4O4/c30-29(31,32)28(34-35-28)18-3-1-2-17(12-18)25(38)33-19-8-9-27(39)21-13-16-6-7-20(37)23-22(16)26(27,24(19)40-23)10-11-36(21)14-15-4-5-15/h1-3,6-7,12,15,19,21,24,37,39H,4-5,8-11,13-14H2,(H,33,38)/t19-,21-,24+,26+,27-/m1/s1
InChI key: LTJJLWJMWMHQHZ-XGTKUTNFSA-N
SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(c1)C1(N=N1)C(F)(F)F
Systematic name  (3):
  • 6β-[[3-(3-トリフルオロメチル-3H-ジアジリン-3-イル)ベンゾイル]アミノ]-17-シクロプロピルメチル-4,5α-エポキシモルフィナン-3,14-ジオール
  • N-[(1S,5R,13R,14R,17S)-4-(シクロプロピルメチル)-10,17-ジヒドロキシ-12-オキサ-4-アザペンタシクロ[9.6.1.01,13.05,17.07,18]オクタデカ-7,9,11(18)-トリエン-14-イル]-3-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]ベンズアミド
  • N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-yl]-3-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzamide
Other name (1):
  • 6β-[[3-(3-Trifluoromethyl-3H-diazirin-3-yl)benzoyl]amino]-17-cyclopropylmethyl-4,5α-epoxymorphinan-3,14-diol
Thsaurus map:

Return to Previous Page