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lxm5185

新虫 (初入文坛)

[求助] 求助查询一种原料药的物理性质:pKa,lgP,分配系数,摩尔吸收系数等尽可能详细 已有1人参与

Diflucortolone valerate(戊酸二氟可龙)
CAS:59198-70-8
是不是默克索引可以查?求各位大能指导!!

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alps_1985

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【答案】应助回帖

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感谢参与,应助指数 +1
lxm5185: 金币+5, 有帮助, 想要的一些物理参数还是没有,谢谢 2018-04-08 12:59:47
Monograph Number:  0003143
Title:  Diflucortolone
CAS Registry Number:  2607-06-9
CAS Name:  (6a, 11b, 16a)-6,9-Difluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
Additional Names:  6a,9a-difluoro-16a-methyl-1,4-pregnadiene-11b,21-diol-3,20-dione;  6a,9a-difluoro-16a-methyl-1-dehydrocorticosterone
Molecular Formula:  C22H28F2O4
Molecular Weight:  394.45
Percent Composition:  C 66.99%, H 7.15%, F 9.63%, O 16.22%
Literature References:  The 9a-fluoro deriv of fluocortolone, q.v.  Prepn:  BE 639708; K. Kieslich et al., US 3426128 (1964, 1969, both to Schering AG); eidem, Arzneim.-Forsch. 26, 1462 (1976).  Toxicity:  P. Gunzel et al., ibid. 1476.  Series of articles on pharmacology, toxicity, metabolism and clinical studies:  ibid. 26, 1463-1513 (1976).
Properties:  Crystals from ethyl acetate-ether, mp 240-244°.  uv max:  237 nm (e 16600) (Kieslich, 1969).  Also reported as mp 248-249°.  [a]D22 +111° (methanol) (Kieslich, 1976).
Melting point:  mp 240-244°; mp 248-249°
Optical Rotation:  [a]D22 +111° (methanol) (Kieslich, 1976)
Absorption maximum:  uv max:  237 nm (e 16600) (Kieslich, 1969)

Derivative Type:  21-Valerate
CAS Registry Number:  59198-70-8
Trademarks:  Neribas (Schering AG);  Neriforte (Schering AG);  Nerisona (Schering AG);  Nerisone (Schering AG);  Temetex (Sauter);  Texmeten (Roche)
Molecular Formula:  C27H36F2O5
Molecular Weight:  478.57
Percent Composition:  C 67.76%, H 7.58%, F 7.94%, O 16.72%
Properties:  Crystals, mp 195-195.5°.  [a]D22 +100.8° (dioxane).  Approx LD50 in mice, rats:  >4, 3.1 g/kg orally; 180, 13 mg/kg s.c.; 450, 98 mg/kg i.p. (Gunzel).
Melting point:  mp 195-195.5°
Optical Rotation:  [a]D22 +100.8° (dioxane)
Toxicity data:  Approx LD50 in mice, rats:  >4, 3.1 g/kg orally; 180, 13 mg/kg s.c.; 450, 98 mg/kg i.p. (Gunzel).

Therap-Cat:  Anti-inflammatory.
Keywords:  Glucocorticoid.
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