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炔孕酮 | 434-03-7

炔孕酮
Ethisterone
434-03-7
C21H28O2
312.4458
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:炔孕酮结构式
炔孕酮MSDS
24894377
炔孕酮价格
简介
炔孕酮化学名为17β-羟基-17α-乙炔基-雄甾-4-烯-3-酮。按干燥品计算,含C21H28O2应为97.0%~103.0%。为白色或类白色的结晶性粉末;无臭或几乎无臭。炔孕酮在吡啶中略溶,氯仿中微溶,水中几乎不溶。临床用于功能性子宫出血、月经异常、闭经、痛经等。
名称和标识符
MDL MFCD00003656
InChIKey CHNXZKVNWQUJIB-KXXIFBCNSA-N
Inchi 1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18-,19-,20-,21-/m1/s1
SMILES O([H])[C@]1(C#C[H])C([H])([H])C([H])([H])[C@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(C([H])([H])C([H])([H])[C@@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]21C([H])([H])[H])=O
别名信息
- 中文别名 -
  • 炔孕酮
  • 乙炔睾酮
  • 妊娠素
  • 17-乙炔睾(甾)酮
  • 4H-1,2,4-噻唑-4-乙胺
  • Ethisterone 脱水羟基孕酮
  • 炔孕酮 标准品
  • 炔孕酮(妊娠素)
  • 炔孕酮、妊娠素
  • 脱水羟基孕酮
  • 17beta-羟基-17alpha-乙炔基-雄甾-4-烯-3-酮
  • 17Α-乙炔睾酮
  • 17β-羟基-4,17α-孕甾烯-20-炔基-3-酮
  • 4,17α-孕甾烯-17β-醇-20-炔基-3-酮
  • 己酸羟孕酮
  • 孕烯炔醇酮
- 英文别名 -
  • ethisterone
  • 17-alpha-ethynyltestosterone
  • pregneninolone
  • 17a-ethynyl-17b-hydroxy-4-androsten-3-one
  • 17a-ethynyl testosterone
  • anhydrohydroxyprogesterone
  • ethynyl testosterone
  • Gestoral
  • 17-Hydroxypregn-4-en-20-yn-3-one
  • ETHISTERONE(RG)
  • 17α-Ethynyltestosterone
  • 17β-Hydroxy-4,17α-pregnen-20-yn-3-one
  • 4,17α-Pregnen-17β-ol-20-yn-3-one
  • Colutoid
  • Ethinone
  • Pranone
  • Pregnin
  • Prodoxan
  • Produxan
  • Prolutol
  • Prone
  • 17b-Hydroxy-4,17a-pregnen-20-yn-3-one
  • 4,17a-Pregnen-17b-ol-20-yn-3-one
  • 17alpha-Ethynyltestosterone
  • Ethisteronum
  • Aethisteronum
  • Etisterona
  • Ethinyl testosterone
  • Nugestoral
  • Aethisteron
  • Progestoral
  • Ethynyltestosterone
  • 17alpha-Ethinyltestosterone
  • Anhydroxyprogesterone
  • Syngestrotabs
  • Progestolets
  • 17alpha-Ethinyl testosterone
  • Prodroxan
  • Trosinone
  • Progestab
  • Ora-Lutin
  • Ethinyltestosterone
  • P201BVY1MJ
  • Praegninum
  • Nalutoral
  • Lucorteum Ora
  • (8R,9S,10S,13R,14R,17S)-17-Ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-c
  • 17a-Ethynyl-17b-hydroxy-4-androsten-3-one
  • 17a-Ethynyl testosterone
  • Anhydrohydroxyprogesterone
  • Ethisterone
  • EINECS 207-096-5
  • HMS2234J08
  • BPBio1_000114
  • NCGC00255184-01
  • (8R,10R,13S,17R)-17-Ethynyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one
  • DTXCID003016
  • (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • Ethisterone
  • s2611
  • DTXSID2023016
  • SMR000058320
  • CHEBI:34749
  • ETHISTERONE [MART.]
  • AS-13381
  • CHEMBL241694
  • 17-Ethynyl-17beta-hydroxyandrost-4-en-3-one
  • Prestwick3_000261
  • CHNXZKVNWQUJIB-CEGNMAFCSA-N
  • E0040
  • SR-01000002984-2
  • Tox21_111393
  • BCP0726000218
  • NS00007266
  • ETHISTERONE [USP-RS]
  • Tox21_302324
  • 17a-ethynyltestosterone
  • NCGC00021466-03
  • NCGC00021466-06
  • AB00384255-11
  • AB00384255_14
  • AC-2170
  • AKOS005622724
  • AB00490005
  • NSC 9565
  • BRN 1889895
  • ETHISTERONE [MI]
  • Pregneninolone
  • ETHISTERONE [WHO-DD]
  • A826270
  • Ethisteronum [INN-Latin]
  • 17-hydroxy-17alpha-pregn-4-en-20-yn-3-one
  • HMS3712F04
  • BSPBio_000102
  • EC 207-096-5
  • 17-Ethinyl testosterone
  • 17-alpha-Pregn-4-en-20-yn-3-one, 17-hydroxy-
  • Tox21_111604_1
  • Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17-alpha)-
  • 17alpha-hydroxypregn-4-en-20-yn-3-one
  • Q5403717
  • NSC-9565
  • Androst-4-en-3-one, 17alpha-ethynyl-17-hydroxy-
  • BCP9000664
  • BCP23355
  • 17-Ethynyl-17.beta.-hydroxyandrost-4-en-3-one
  • Etisterone
  • 17-beta-Hydroxy-17-alpha-ethynyl-4-androsten-3-one
  • SR-01000002984
  • HMS2090E14
  • 17alpha-Pregn-4-en-20-yn-3-one, 17-hydroxy-
  • (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • CAS-434-03-7
  • MLS001076282
  • Ethisterone anhydrohydroxyprogesterone
  • Tox21_111604
  • Opera_ID_1078
  • NCGC00095023-01
  • UNII-P201BVY1MJ
  • ETHISTERONE [INN]
  • 17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one
  • Ethisterone, VETRANAL(TM), analytical standard
  • SCHEMBL24475
  • Etisterona [INN-Spanish]
  • CCG-220261
  • 17beta-Hydroxy-4,17alpha-pregnen-20-yn-3-one
  • (8R,9S,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,7,8,10,11,12,13,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one
  • MFCD00003656
  • AB00384255-13
  • 17alpha-ethynyl-17beta-hydroxy-androst-4-en-3-one
  • NCGC00021466-05
  • 17-Hydroxy-17-alpha-pregn-4-en-20-yn-3-one
  • Ethisterone, >=99% (HPLC)
  • MLS000069396
  • BRD-K03981224-001-02-9
  • (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
  • AI3-26421
  • Etisterone [DCIT]
  • NCGC00159363-02
  • 4-08-00-01225 (Beilstein Handbook Reference)
  • HY-B0487
  • (17alpha)-17-hydroxypregn-4-en-20-yn-3-one
  • 434-03-7
  • 4,17alpha-Pregnen-17beta-ol-20-yn-3-one
  • 17-alpha-Ethynyltestosterone
  • HMS2095F04
  • Ethisterone [INN:BAN:NF]
  • 17-Ethinyltestosterone
  • Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17alpha)-
  • BDBM50198711
物化性质
实验特性
LogP 3.88260
PSA 37.30000
Merck 14,3741
折射率 33 ° (C=1, Pyridine)
水溶性 soluble in chloroform, DMSO (0.05 mg/ml), acetone (slightly ), ethanol (<1 mg/ml at 25°C), and water (<1 mg/ml at 25°C).
沸点 446.4°C at 760 mmHg
熔点 266-273 ºC
闪点 106 °C
溶解度 Soluble in chloroform, DMSO (0.05 mg/ml), acetone (slightly ), ethanol (<1 mg/ml at 25 °C), and water (<1 mg/ml at 25 °C).
颜色与性状 不可用
溶解性 不可用
比旋光度 +23.8° (dioxane)
密度 1.0697 (rough estimate)
计算特性
精确分子量 312.20900
氢键供体数量 1
氢键受体数量 2
可旋转化学键数量 1
同位素质量 312.209
重原子数量 23
复杂度 638
同位素原子数量 0
确定原子立构中心数量 6
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3.5
拓扑分子极性表面积 37.3
国际标准相关数据
EINECS 207-096-5
海关数据
海关编码 2942000000
海关数据

中国海关编码:

2942000000
专业数据库参考
PubChemId 24894377
参考资料
Reaxys RN
Beilstein 1889895
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