Chem
J-GLOBAL ID：200907028523724756   Nikkaji number：J8.645B

Deptropine

デプトロピン
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： C23H27NO
Molecular formula furigana： C23-H27-N-O
Molecular weight： 333.475
InChI： InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20?
InChI key： ZWPODSUQWXAZNC-YOFSQIOKSA-N
SMILES： CN1[C@H]2CC[C@@H]1CC(C2)OC1c2ccccc2CCc2ccccc12
Systematic name  (4)：
  • (1β,3α,5β)-3-[[(10,11-ジヒドロ-5H-ジベンゾ[a,d]シクロヘプテン)-5-イル]オキシ]-8-メチル-8-アザビシクロ[3.2.1]オクタン
  • (1R,5S)-3α-[(10,11-ジヒドロ-5H-ジベンゾ[a,d]シクロヘプテン-5-イル)オキシ]トロパン
  • (1R,5S)-8-メチル-3-{トリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-2-イルオキシ}-8-アザビシクロ[3.2.1]オクタン
  • (1R,5S)-8-methyl-3-{tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yloxy}-8-azabicyclo[3.2.1]octane
Other name (3)：
  • デプトロピン
  • Deptropine
  • (1R,5S)-3α-[(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]tropane
CAS registry number： 604-51-3
Regulation number (1)：
  • EINECS2100690
KEGG DRUG： D07404
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