Chem
J-GLOBAL ID：200907003450558930   Nikkaji number：J14.056B

Schoberidine

ショベリジン
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： C20H21N3
Molecular formula furigana： C20-H21-N3
Molecular weight： 303.409
InChI： InChI=1S/C20H21N3/c1-2-6-16-12(4-1)13-9-11-23-17-8-7-15(20(23)19(13)22-16)18-14(17)5-3-10-21-18/h1-2,4,6,9,11,14-15,17-18,21H,3,5,7-8,10H2/t14-,15-,17+,18-/m0/s1
InChI key： JKCGCIXGXNBFNZ-ONIAQPFYSA-N
SMILES： C1CN[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2c2n1ccc1c2nc2ccccc12
Systematic name  (3)：
  • 1,3,5,6-テトラデヒドロニトラリン
  • (1S,15R,16R,21S)-4,14,20-トリアザヘキサシクロ[13.6.2.02,14.03,11.05,10.016,21]トリコサ-2,4,6,8,10,12-ヘキサエン
  • (1S,15R,16R,21S)-4,14,20-triazahexacyclo[13.6.2.02,14.03,11.05,10.016,21]tricosa-2,4,6,8,10,12-hexaene
Other name (4)：
  • ショベリジン
  • スコベリジン
  • Schoberidine
  • 1,3,5,6-Tetradehydronitrarine
CAS registry number： 56775-83-8
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