(3E)-17-Deacetylnorgestimate

Norelgestromin (USAN:INN:BAN)

HCID 9568628CAS 74183-55-4

正在补全数据，通常 1 分钟内完成

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基本信息

标准SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC
InChIKey
ISHXLNHNDMZNMC-VTKCIJPMSA-N
分子式
C21H29NO2
平均分子量
327.5 g/mol

概述

Norelgestromin is a steroid. It derives from a hydride of an estrane.

名称与标识

首选名称
Norelgestromin (USAN:INN:BAN)
IUPAC
(3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
中文名
(3E)-17-Deacetylnorgestimate
英文名
(3E)-17-Deacetylnorgestimate
分子式
C21H29NO2
分子量
327.46

名称与别名

Norelgestromin (USAN:INN:BAN)RefChem:1092581anti-Norelgestromin74183-55-4(E)-17-Deacetylnorgestimate((E)-Norelgestromin)17-Desacetyl NorgestimateNorelgestromin, (E)-UM2XKY25DH17-Deacetylnorgestimate, (E)-(3Z)-17-Desacetyl NorgestimateUNII-UM2XKY25DH
展开更多名称
(3E)-17-去乙酰基诺孕酯(3E)-17-Deacetylnorgestimate18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, oxime, (3E,17α)-
Norgestimate impurity C [EP]Ortho EvraNorgestimate metabolite Norelgestromin(3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol(3E)-13beta-Ethyl-3-(hydroxyimino)-18,19-dinor-17alpha-pregn-4-en-20-yn-17-ol18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, oxime, (3E,17alpha)-(8R,9S,10R,13S,14S,17R,E)-13-ethyl-17-ethynyl-17-hydroxy-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one oximeNorgestimate EP Impurity C

数据库标识

CAS
74183-55-4
PubChem CID
9568628
ChEBI
CHEBI:135398
UNII
UM2XKY25DH
Nikkaji
J968.614B

性质

结构计算性质补全中

XLogP
3.6
极性表面积
52.8 Ų
氢键供体
2
氢键受体
3
可旋转键
2
重原子
24

物理化学性质

熔点
199 · 199-200 °C(Solv: acetonitrile (75-05-8); ethyl acetate (141-78-6))
沸点
491.9 · 491.9±45.0 °C(Predicted)
密度
1.23 · 1.23±0.1 g/cm3(Predicted)
储存条件
-20 °C · -20°C Freezer
溶解度
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
酸度系数(pKa)
12.22 · 12.22±0.60(Predicted)

化学与工业

药理信息

ATC CodeG03AA13

相关反应

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