HCID252379

19-Hydroxyandrostenedione

(8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

C19H26O3302.4 g/molCAS 510-64-5

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IDENTITY

结构与身份

标准SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CCC2=O
InChIKey: XGUHPTGEXRHMQQ-BGJMDTOESA-N
分子式: C19H26O3
平均分子量: 302.4 g/mol
单同位素质量: 302.18819469

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 54.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 22
形式电荷: 0
复杂度: 563

PROPERTIES

实验与物化性质

来源：PubChem

Physical Description

Solid

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H351 (15.2%): Suspected of causing cancer [Warning Carcinogenicity]；H360 (15.2%): May damage fertility or the unborn child [Danger Reproductive toxicity]；H361 (84.8%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H362 (15.2%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]

P203, P260, P263, P264, P270, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Carc. 2 (15.2%)；Repr. 1A (15.2%)；Repr. 2 (84.8%)；Lact. (15.2%)

PHARMACOLOGY

药理信息

来源：PubChem

Tissue Locations

Placenta；Testis

Cellular Locations

Extracellular；Membrane

Metabolite Pathways

17-Beta Hydroxysteroid Dehydrogenase III Deficiency；Androgen and Estrogen Metabolism；Androstenedione Metabolism；Aromatase deficiency

ALIASES

名称与别名

共 57 条

19-Hydroxyandrost-4-ene-3,17-dione510-64-519-Hydroxy-4-androstene-3,17-dione19-HydroxyandrostenedioneAndrost-4-ene-3,17-dione, 19-hydroxy-NSC-74233A546CQ058419-HAEDJ117.011BCHEBI:27576DTXSID80199007C05290RefChem:437595DTXCID70121498208-116-519-Hydroxyandrostendione4-Androsten-19-ol-3,17-dione(8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione4-Androstene-3,17-dione-19-ol19-Hydroxyandrost-4-enedione

REACTIONS

参与反应

51 条

uspto-grants-1993_12 · 10.6084/m9.figshare.5104873.v1 · US05272134

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