格木碱 | 36150-73-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 格木碱
• 英文名称: Erythrophleine
• 英文别名: methyl (1S,4aR,4bS,7E,8R,8aS,9S,10aR)-9-hydroxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate
• CAS: 36150-73-9
• 化学式: C₂₄H₃₉NO₅
• 分子量: 421.6
• InChiKey: COAPCKUZMKOWBC-ZEJGPHSTSA-N

物化性质

• 熔点：
  115°
• 比旋光度：
  D20 -22.5° (c = 0.65 in ethanol)
• 沸点：
  525.4±50.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Predicted)
• 颜色/状态：
  SOLID FROM ETHANOL-ETHER
• 溶解度：
  SOLUBLE IN WATER AND ALCOHOL
• 旋光度：
  SPECIFIC OPTICAL ROTATION: -22.5 DEG @ 20 °C/D (C= 0.65 IN ETHANOL)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  6

ADMET

毒理性

• 人类毒性摘录

生物碱埃里托啡碱和卡萨碱（神经毒碱）已知具有麻醉作用，但应用于眼睛时会引起极度刺激并对角膜、结膜和虹膜造成伤害。这些生物碱通过结膜下注射到人眼中，也会在几天内降低眼内压，可能是通过毒害水样分泌机制，但结膜化学烧伤和角膜水肿对于作为抗青光眼治疗来说副作用过大。仅引起轻微的瞳孔缩小。/埃里托啡碱生物碱/

THE ALKALOIDS ERYTHROPHLEINE & CASSAINE (NERVOCIDINE) ARE KNOWN TO HAVE ANESTHETIC ACTION, BUT WHEN APPLIED TO THE EYE ARE EXCESSIVELY IRRITATING & INJURIOUS TO THE CORNEA, CONJUNCTIVA, & IRIS. THESE ALKALOIDS APPLIED TO ...HUMAN EYES BY SUBCONJUNCTIVAL INJECTION ALSO LOWERED THE INTRAOCULAR PRESSURE FOR SEVERAL DAYS, PRESUMABLY BY POISONING THE AQ SECRETORY MECHANISM, BUT CHEMOSIS & CORNEAL EDEMA WERE TOO MUCH FOR ANTIGLAUCOMA THERAPEUTIC USE. ONLY SLIGHT MIOSIS WAS INDUCED. /ERYTHROPHLEUM ALKALOIDS/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

这些erythrophleine和cassaine生物碱通过结膜下注射到兔子和狗的眼睛中，也能在几天内降低眼内压，可能是通过毒害AQ分泌机制，但化学性眼炎和角膜水肿对于抗青光眼治疗来说副作用过大。仅诱导了轻微的瞳孔缩小。/erythrophleum生物碱/

THESE /ERYTHROPHLEINE & CASSAINE/ ALKALOIDS APPLIED TO RABBIT /AND/ DOG...EYES BY SUBCONJUNCTIVAL INJECTION ALSO LOWERED THE INTRAOCULAR PRESSURE FOR SEVERAL DAYS, PRESUMABLY BY POISONING THE AQ SECRETORY MECHANISM, BUT CHEMOSIS & CORNEAL EDEMA WERE TOO MUCH FOR ANTIGLAUCOMA THERAPEUTIC USE. ONLY SLIGHT MIOSIS WAS INDUCED. /ERYTHROPHLEUM ALKALOIDS/

来源:Hazardous Substances Data Bank (HSDB)