Chem
J-GLOBAL ID：200907021361079393   Nikkaji number：J291.229E

Buprenorphine

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： C29H41NO4
Molecular formula furigana： C29-H41-N-O4
Molecular weight： 467.650
InChI： InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27+,28+,29?/m1/s1
InChI key： RMRJXGBAOAMLHD-NFCPXPRCSA-N
SMILES： COC12CC[C@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Systematic name  (3)：
  • (αS)-17-(シクロプロピルメチル)-α-(1,1-ジメチルエチル)-4,5α-エポキシ-18,19-ジヒドロ-3-ヒドロキシ-6-メトキシ-α-メチル-6,14-エテノモルフィナン-7α-メタノール
  • (1R,2R,6S,14R,16R)-3-(シクロプロピルメチル)-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,16R)-3-(cyclopropylmethyl)-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)：
  • (αS)-17-(Cyclopropylmethyl)-α-(1,1-dimethylethyl)-4,5α-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-α-methyl-6,14-ethenomorphinan-7α-methanol
  • ブプレノルフィン
  • Buprenorphine
  • ノルスパン
  • Norspan
CAS registry number： 52485-79-7
Regulation number (1)：
  • EINECS2579506
KEGG DRUG： D07132
KEGG COMPOUND： C08007
Application (4)：
hypotensive drug ,  analgesic ,  narcotic analgesic ,  narcotic antagonist
Thsaurus map：
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