Levonorgestrel（CAS 797-63-7）：分子式 C21H28O2、分子量 312.4。
登记用途：Uses: MEDICATION、Used as a combined oral contraceptive with ethinylestradiol in monophasic、biphasic、and triphasic regimens. It is also used as a 'progestin-only' contraceptive pill and subdermal implant.、MEDICATION、Use (kg、approx.) in Germany (2009): >50、Consumption (g per capita、approx.) in Germany (2009): 0.000611、Calculated removal (%): 24.5、For the treatment of menopausal and postmenopausal disorders and alone or in combination with other hormones as an oral contraceptive.、Use Classification: Pharmaceuticals、Methods of Manufacturing: In a representative chemical synthesis、6-methoxy-alpha-tetralone is reacted with vinylmagnesium bromide、and the resulting 1、2、3、4-tetrahydro-6-methoxy-1-vinyl-1-naphthol is condensed with 2-ethyl-1、3-cyclopentanedione to form initially a tricyclic intermediate (secosteroid) containing all of the gonane skeleton carbon atoms. Cyclization of the secosteroid via dehydration yields a 13-ethylgona-1、5(10)-8、14-pentaene structure which is then successively reduced and ethynylated.、Prepn: H. Smith、Belg. pat. 623、844 (1963)、C.A. 61、4427c (1964)、G.A. Hughes、H. Smith、U.S. pat. 3、959、322 (1976 to Herchel Smith)、The activity of norgestrel is found in the levorotatory form D-l-norgestrel or levonorgestrel. Synthesis of the levorotatory form involves meta-cresol methyl ether、dimethyl malonate and trans-1、4-dibromo-2-butene as starting materials. The steroid skeleton was constructed by using an intramolecular Diels-Alder reaction of an ortho-quinodimethane derivative、preceded by photo-enolization of an appropriate methyl-substituted acetophenone derivative. Chirality was introduced at an early stage during a nucleophilic substitution reaction. It is not known if this synthesis is used commercially.、Impurities: Reported impurities include: 13-ethyl-3、4-diethynyl-18、19-dinor-17alpha-pregn-5-en-20- yn-3beta、4alpha、17-triol、13-ethyl-3、19-dinor-17alpha-pregn-5-en-20-yn-3alpha、17- triol 13-ethyl-18、19-dinor-17alpha-pregn-4-en-20-yn-17-ol、13-ethyl-3-ethynyl-18、19-dinor-17alpha-pregna-3、5-dien-20-yn-17-ol、13-ethyl-17-hydroxy-18、19-dinor-17alpha-pregna-4、8(14)- dien-20-yn-3-one and 13-ethyl-17-hydroxy-18、19-dinor-17alpha-pregn-5(10)-en-20-yn-3-one.、Formulations、Preparations: Mixture of levonorgestrel with ethinyl estradiol. Levlen、Logynon、Microgynon、Nordette、Ovran、Ovranette、Tetre-gynon、Tri-Levlen、Trinordiol、Triphasil. Clinical trial in acne treatment.、Mixture with ethinyl estradiol. Lo、Ovral、Stediril. Clinical efficiacy as oral contraceptive.、Norgestrel is available commercially as a single-ingredient tablet and as a component of combination tablets with ethinylestradiol、estradiol valerate or as combined injectable solution with ethinylestradiol.、Oral: Tablets: Norgestrel and Ethinyl Estradiol 0.3 mg、0.03 mg、Low-ogestrel (Watson Pharma).、Oral: Tablets: 2 mg estradiol valerate (white tablets taken day 1-11)、500 ug norgestrel + 2 mg estradiol valerate (pale brown tablets taken day 12-21)、Cyclo-Progynova (Meda Pharmaceuticals).、Levonorgestrel is available commercially as a single-ingredient tablet and in combined tablets with estradiol、estradiol valerate、estriol and ethinylestradiol ... It is also available as an intrauterine system and as a flexible、closed-capsule implant made of silicone rubber tubing.、Plan B (levonorgestrel) tablets、0.75 mg、are available for a single course of treatment in PVC、aluminum foil blister packages of two tablets each.、General Manufacturing Information: A synthetic steroid hormone used as an ingredient of oral contraceptives、The activity of norgestrel is found in the levorotatory form D-l-norgestrel or levonorgestrel.、...was manufactured or formulated in Augentina、Australia、Austria、Belgium、Brazil、Canada、Finland、France、German、India、Mexico、the Netherlands、New Zealand、Portugal、South Africa、Spain、Switzerland、the United Kingdom and the U.S.。
Levonorgestrel 是一种化工化合物，登记 CAS 号为 797-63-7，分子式 C21H28O2（分子量 312.4）。
登记 CAS 号：797-63-7
其分子式 C21H28O2 由 21 个碳、28 个氢、2 个氧 组成。
别名/同义词：Levonorgestrel · D(minus)-norgestrel
Levonorgestrel 的 CAS 登记号为 797-63-7。
分子式 C21H28O2，分子量 312.4。
别名/同义词：Levonorgestrel、D(minus)-norgestrel。
登记用途：Uses: MEDICATION、Used as a combined oral contraceptive with ethinylestradiol in monophasic、biphasic、and triphasic regimens. It is also used as a 'progestin-only' contraceptive pill and subdermal implant.、MEDICATION、Use (kg、approx.) in Germany (2009): >50、Consumption (g per capita、approx.) in Germany (2009): 0.000611、Calculated removal (%): 24.5、For the treatment of menopausal and postmenopausal disorders and alone or in combination with other hormones as an oral contraceptive.、Use Classification: Pharmaceuticals、Methods of Manufacturing: In a representative chemical synthesis、6-methoxy-alpha-tetralone is reacted with vinylmagnesium bromide、and the resulting 1、2、3、4-tetrahydro-6-methoxy-1-vinyl-1-naphthol is condensed with 2-ethyl-1、3-cyclopentanedione to form initially a tricyclic intermediate (secosteroid) containing all of the gonane skeleton carbon atoms. Cyclization of the secosteroid via dehydration yields a 13-ethylgona-1、5(10)-8、14-pentaene structure which is then successively reduced and ethynylated.、Prepn: H. Smith、Belg. pat. 623、844 (1963)、C.A. 61、4427c (1964)、G.A. Hughes、H. Smith、U.S. pat. 3、959、322 (1976 to Herchel Smith)、The activity of norgestrel is found in the levorotatory form D-l-norgestrel or levonorgestrel. Synthesis of the levorotatory form involves meta-cresol methyl ether、dimethyl malonate and trans-1、4-dibromo-2-butene as starting materials. The steroid skeleton was constructed by using an intramolecular Diels-Alder reaction of an ortho-quinodimethane derivative、preceded by photo-enolization of an appropriate methyl-substituted acetophenone derivative. Chirality was introduced at an early stage during a nucleophilic substitution reaction. It is not known if this synthesis is used commercially.、Impurities: Reported impurities include: 13-ethyl-3、4-diethynyl-18、19-dinor-17alpha-pregn-5-en-20- yn-3beta、4alpha、17-triol、13-ethyl-3、19-dinor-17alpha-pregn-5-en-20-yn-3alpha、17- triol 13-ethyl-18、19-dinor-17alpha-pregn-4-en-20-yn-17-ol、13-ethyl-3-ethynyl-18、19-dinor-17alpha-pregna-3、5-dien-20-yn-17-ol、13-ethyl-17-hydroxy-18、19-dinor-17alpha-pregna-4、8(14)- dien-20-yn-3-one and 13-ethyl-17-hydroxy-18、19-dinor-17alpha-pregn-5(10)-en-20-yn-3-one.、Formulations、Preparations: Mixture of levonorgestrel with ethinyl estradiol. Levlen、Logynon、Microgynon、Nordette、Ovran、Ovranette、Tetre-gynon、Tri-Levlen、Trinordiol、Triphasil. Clinical trial in acne treatment.、Mixture with ethinyl estradiol. Lo、Ovral、Stediril. Clinical efficiacy as oral contraceptive.、Norgestrel is available commercially as a single-ingredient tablet and as a component of combination tablets with ethinylestradiol、estradiol valerate or as combined injectable solution with ethinylestradiol.、Oral: Tablets: Norgestrel and Ethinyl Estradiol 0.3 mg、0.03 mg、Low-ogestrel (Watson Pharma).、Oral: Tablets: 2 mg estradiol valerate (white tablets taken day 1-11)、500 ug norgestrel + 2 mg estradiol valerate (pale brown tablets taken day 12-21)、Cyclo-Progynova (Meda Pharmaceuticals).、Levonorgestrel is available commercially as a single-ingredient tablet and in combined tablets with estradiol、estradiol valerate、estriol and ethinylestradiol ... It is also available as an intrauterine system and as a flexible、closed-capsule implant made of silicone rubber tubing.、Plan B (levonorgestrel) tablets、0.75 mg、are available for a single course of treatment in PVC、aluminum foil blister packages of two tablets each.、General Manufacturing Information: A synthetic steroid hormone used as an ingredient of oral contraceptives、The activity of norgestrel is found in the levorotatory form D-l-norgestrel or levonorgestrel.、...was manufactured or formulated in Augentina、Australia、Austria、Belgium、Brazil、Canada、Finland、France、German、India、Mexico、the Netherlands、New Zealand、Portugal、South Africa、Spain、Switzerland、the United Kingdom and the U.S.。
Levonorgestrel（CAS 797-63-7）的公开数据库记录，列此仅供独立核对。
| Reported hazard statements | H302 (20.2%), H312 (61.8%), H332 (61.8%), H351 (97.8%), H360 (94.4%), H362 (31.5%), H315 (11.1%), H319 (11.1%) |
|---|
H302 (20.2%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (61.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]
| 沸点 | 459.1 |
|---|---|
| 熔点 | 232-239 |
| 熔点 | 205-207 °C |
| 熔点 | 206 °C |
| 熔点 | 240 °C |
| 溶解度 | 2.05 |
| 溶解度 | 5.83e-03 g/L |
| LogP | 3.8 |
| LogP | 3.62 |
| Dissociation Constants | 17.91,-1.5 |
| CAS Registry Number | 797-63-7 |
|---|---|
| PubChem CID | 13109 |
| 分子式 | C21H28O2 |
| IUPAC 名称 | (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one |
| UNII（FDA） | 3J8Q1747Z2 |
Levonorgestrel; 797-63-7; D-Norgestrel; Mirena; Microval; NORPLANT; Plan B; (-)-Norgestrel; D-(-)-Norgestrel; Levonova; Jadelle; d(-)-Norgestrel; Microlut; Levonorgestrelum; 18-Methylnorethisterone; Norplant II
| 分子量 | 312.4 |
|---|---|
| XLogP3 | 3.3 |
| 氢键供体数 | 1 |
| 氢键受体数 | 2 |
| 可旋转键数 | 2 |
| 精确质量 | 312.208930132 |
| 单同位素质量 | 312.208930132 |
| 拓扑极性表面积 | 37.3 |
| 重原子数 | 23 |
| 形式电荷 | 0 |
Levonorgestrel · CAS 797-63-7 · C21H28O2. UNII 3J8Q1747Z2. 沸点: 459.1; 熔点: 232-239; 熔点: 205-207 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。