Chem
J-GLOBAL ID：200907033907515414   Nikkaji number：J397.325E

Norbuprenorphine

ノルブプレノルフィン
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： C25H35NO4
Molecular formula furigana： C25-H35-N-O4
Molecular weight： 413.558
InChI： InChI=1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23+,24+,25+/m1/s1
InChI key： YOYLLRBMGQRFTN-GEGSQIGRSA-N
SMILES： CO[C@@]12CC[C@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1)c45
Systematic name  (3)：
  • (αS)-α-tert-ブチル-4,5α-エポキシ-3-ヒドロキシ-6-メトキシ-α-メチル-6β,14-エタノモルフィナン-7α-メタノール
  • (1R,2R,6S,14R,15S,16R)-16-[(2S)-2-ヒドロキシ-3,3-ジメチルブタン-2-イル]-15-メトキシ-13-オキサ-3-アザヘキサシクロ[13.2.2.12,8.01,6.06,14.07,12]イコサ-7(12),8,10-トリエン-11-オール
  • (1R,2R,6S,14R,15S,16R)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7(12),8,10-trien-11-ol
Other name (5)：
  • N-デス(シクロプロピルメチル)ブプレノルフィン
  • N-Des(cyclopropylmethyl)buprenorphine
  • (αS)-α-tert-Butyl-4,5α-epoxy-3-hydroxy-6-methoxy-α-methyl-6β,14-ethanomorphinan-7α-methanol
  • ノルブプレノルフィン
  • Norbuprenorphine
CAS registry number： 78715-23-8
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