Chem
J-GLOBAL ID:200907017907768813   Nikkaji number:J9.366A

Yohimbine

ヨヒンビン
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: C21H26N2O3
Molecular formula furigana: C21-H26-N2-O3
Molecular weight: 354.450
InChI: InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
InChI key: BLGXFZZNTVWLAY-SCYLSFHTSA-N
SMILES: COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Systematic name  (4):
  • (+)-17α-ヒドロキシヨヒンバン-16α-カルボン酸メチル
  • 17α-ヒドロキシヨヒンバン-16α-カルボン酸メチル
  • メチル (1S,15R,18S,19R,20S)-18-ヒドロキシ-3,13-ジアザペンタシクロ[11.8.0.02,10.04,9.015,20]ヘンイコサ-2(10),4,6,8-テトラエン-19-カルボキシラート
  • methyl (1S,15R,18S,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-19-carboxylate
Other name (13):
  • コリニン
  • アフロジン
  • ヨヒンビン
  • クエブラキン
  • (+)-ヨヒンビン
Show all
CAS registry number: 146-48-5
Regulation number (3):
  • 8-(1)-1385
  • EINECS2056720
  • ZG1000000
KEGG DRUG: D08685
KEGG COMPOUND: C09256
Application (1):
alpha adrenergic antagonist
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