3-己基-6,6,9-三甲基-7,8,9,10-四氢苯并[c]苯并吡喃-1-醇 | 117-51-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 3-己基-6,6,9-三甲基-7,8,9,10-四氢苯并[c]苯并吡喃-1-醇
• 中文别名: 3-己基-7,8,9,10-四氢-6,6,9-三甲基-6H条-二苯并[b,d]吡喃-1-醇
• 英文名称: 3-hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-ol
• 英文别名: Synhexyl；3-hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
• CAS: 117-51-1
• 化学式: C₂₂H₃₂O₂
• 分子量: 328.495
• InChiKey: OORFXDSWECAQLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.636
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  甲基碘化镁 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 、 苯 作用下， 生成 3-己基-6,6,9-三甲基-7,8,9,10-四氢苯并[c]苯并吡喃-1-醇
  参考文献：
  名称：

  Tetrahydrocannabinol Homologs with Marihuana Activity. IX¹

  摘要：

  DOI：

  10.1021/ja01852a052

文献信息

• Cannabinoid active pharmaceutical ingredient for improved dosage forms
  申请人：Kupper J. Robert

  公开号：US20070072939A1

  公开（公告）日：2007-03-29

  Pharmaceutical compositions comprising the cannabinoid active pharmaceutical ingredient, crystalline trans-(±)-Δ 9 -tetrahydrocannabinol, and formulations thereof are disclosed. The invention also relates to methods for treating or preventing a condition such as pain comprising administering to a patient in need thereof an effective amount of crystalline trans-(±)-Δ 9 -tetrahydrocannabinol. In specific embodiments, the crystalline trans-(±)-Δ 9 -tetrahydrocannabinol administered according to the methods for treating or preventing a condition such as pain can have a purity of at least about 98% based on the total weight of cannabinoids.

  本发明揭示了含有大麻活性药物成分晶态转化物-(±)-Δ9-四氢大麻酚及其制剂的制药组合物。本发明还涉及一种治疗或预防疼痛等病症的方法，包括向需要治疗的患者投与有效量的晶态转化物-(±)-Δ9-四氢大麻酚。在具体实施例中，根据治疗或预防疼痛等病症的方法投与的晶态转化物-(±)-Δ9-四氢大麻酚，其纯度可以基于大麻素的总重量而至少达到约98%。
• COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS
  申请人：Kindler Seth

  公开号：US20110195096A1

  公开（公告）日：2011-08-11

  Compositions which include a corticosteroid in combination with an additional compound active in treatment of an inflammatory disorder are provided.

  本发明提供了一种包括皮质类固醇与另一种在治疗炎症性疾病方面具有活性的化合物的组合物。
• Novel derivatives of bio-affecting phenolic compounds and pharmaceutical composition containing them
  申请人：INTERx RESEARCH CORPORATION

  公开号：EP0046270A1

  公开（公告）日：1982-02-24

  Novel transient prodrug forms of bio-affecting phenolic compounds are selected from the group consisting of those having the structural formula (I): wherein X is O, S or NR5 wherein R5 is hydrogen or lower alkyl; R1 is the mono- or polydehydroxylated residue of a non-steroidal bio-affecting phenol, with the proviso that R' is other than a monohydroxylated or didehydroxylated residue of a phenolic, nuclear dihydroxy natural sympathetic or sympathomimetic amine; R2 is selected from the group consisting of straight or branched chain alkyl, aryl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, aralkyl, alkaryl, aralkenyl, aralkynyl, alkenylaryl, alkynylaryl, (lower acyloxy)alkyl, and carboxyalkyl; 3- to 8-membered, saturated or unsaturated mono-heterocyclic or polyheterocyclic containing from 1 to 3 of any one or more of the heteroatoms N, S or O; and mono- or polysubstituted derivatives of the above; R3 is hydrogen, lower acyl, cyano, halo(lower alkyl), carbamyl, lower alkylcarbamyl, di(lower alkyl)carbamyl, CH2ONO2, -CH2OCOR2 or any non-heterocyclic member of the group defined by R2 above; and n is at least one and equals the total number of phenolic hydroxyl functions comprising the non-steroidal bioaffecting phenol etherified via a R2COXCH(R3)0-moiety; those having the structural formula (II): wherein X, R', R2 and R3 are as defined above, and n and m are each at least one and the sum of n+m equals the total number of phenolic hydroxyl functions comprising the non-steroidal bioaffecting phenol either etherified via a R2COXCH(R3)0-moiety or esterified via a R2COO-moiety; and the pharmaceutically acceptable acid addition salts, quaternary ammonium salts and N-oxides thereof.

  生物效应酚类化合物的新型瞬效原药形式选自具有结构式(I)的化合物组成的组： 其中 X 是 O、S 或 NR5，其中 R5 是氢或低级烷基；R1 是非类固醇生物效应酚的单羟基或多羟基残基，但 R' 不是酚、核二羟基天然交感胺或拟交感胺的单羟基或双羟基残基；R2 选自直链或支链烷基、芳基、环烷基、烯基、环烯基、炔基、芳烷基、烷芳基、芳烯基、芳炔基、烯芳基、炔芳基、（低级酰氧基）烷基和羧基烷基组成的组；R3 是氢、低级酰基、氰基、卤代（低级烷基）、氨甲酰基、低级烷基氨甲酰 基、二（低级烷基）氨甲酰基、CH2ONO2、-CH2OCOR2 或上述 R2 定义的基团中的任何非杂环成员；且 n 至少为 1，等于通过 R2COXCH(R3)0 子代醚化的非甾体生物作用酚所包含的酚羟基官能团的总数；具有结构式（II）的酚羟基官能团： 其中 X、R'、R2 和 R3 如上文所定义，n 和 m 至少各为 1，且 n+m 之和等于非甾体类生物效应酚通过 R2COXCH(R3)0 子键醚化或通过 R2COO 子键酯化的酚羟基官能团的总数；及其药学上可接受的酸加成盐、季铵盐和 N-氧化物。
• Structures and methods for administering cannabis to patients
  申请人：Patch Tech, Inc.

  公开号：EP1186298A2

  公开（公告）日：2002-03-13

  A transdermal structure (10) is provided for delivering cannabis chemical(s) (14) to one's bloodstream. The structure comprises a backing layer (11) which carries the cannabis chemical(s). The chemicals are contained in a film (35) on the backing layer or within a cavity (12) formed in the backing layer. Alternatively, an opening (43) in a secondary layer (42) that overlies the backing layer may be used to create the cavity. The structure is applied to one's skin so that the cannabis chemicals are in contact with the skin. A polymer material (22) which is mixed with the cannabis and placed in the cavity or a membrane over the cavity may be used to control the flow of cannabis chemical(s) into the bloodstream. In an alternative embodiment, a porous material (34) impregnated with cannabis chemical(s) may be used to hold the chemical(s) in the cavity. Because of the relatively slow transdermal flow rate of cannabis materials, it is preferred to utilize permeation enhancers in conjunction with the cannabis carrier or reservoir matrixes or skin contacting adhesive layers (13)

  提供了一种透皮结构（10），用于将大麻化学品（14）输送到人的血液中。该结构包括一个背层（11），背层携带大麻化学品。化学品包含在背衬层上的薄膜（35）中或背衬层中形成的空腔（12）内。或者，也可以使用覆盖在背衬层上的辅助层（42）上的开口（43）来形成空腔。将该结构涂抹在皮肤上，使大麻药剂与皮肤接触。与大麻混合并置于空腔中的聚合物材料（22）或覆盖在空腔上的薄膜可用于控制大麻化学物质流入血液。在另一个实施方案中，可以使用浸渍有大麻化学物质的多孔材料（34）将化学物质固定在腔体内。由于大麻材料的透皮流速相对较慢，因此最好将渗透促进剂与大麻载体或储藏基质或皮肤接触粘合层（13）结合使用。
• Compositions comprising crystalline trans-(+/-)-delta-9-tetrahydrocannabinol
  申请人：EURO-CELTIQUE S.A.

  公开号：EP2263667A2

  公开（公告）日：2010-12-22

  Pharmaceutical compositions comprising the cannabinoid active pharmaceutical ingredient, crystalline trans-(±)-Δ9-tetrahydrocannabinol, and formulations thereof are disclosed. The invention also relates to methods for treating or preventing a condition such as pain comprising administering to a patient in need thereof an effective amount of crystalline trans-(±)-Δ9-tetrahydrocannabinol. In specific embodiments, the crystalline trans-(±)-Δ9-tetrahydrocannabinol administered according to the methods for treating or preventing a condition such as pain can have a purity of at least about 98% based on the total weight of cannabinoids.

  本发明公开了包含大麻素活性药物成分晶体反式-(±)-Δ9-四氢大麻酚的药物组合物及其制剂。本发明还涉及治疗或预防疼痛等病症的方法，包括向有需要的患者施用有效量的晶体反式-(±)-Δ9-四氢大麻酚。在具体的实施方案中，根据治疗或预防疼痛等病症的方法给药的晶体反式-(±)-Δ9-四氢大麻酚的纯度按大麻素总重量计算可达到至少约 98%。

表征谱图