基本情報
- CAS
25975-59-1- 標準SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@H]43)[C@@H]1CC[C@@H]2O- InChIKey
VVUQRXPUVKXAIO-XFUVECHXSA-N- 分子式
- C18H28O2
- 平均分子量
- 276.4 g/mol
- 単同位体質量
- 276.20893014
概要
19-nor-5-androstenediol is a DEA Schedule III controlled substance. Substances in the DEA Schedule III have a potential for abuse less than substances in Schedules I or II and abuse may lead to moderate or low physical dependence or high psychological dependence. It is a Anabolic steroids substance.
名称と識別子
- 優先名称
- 19-Nor-5-androstenediol
- IUPAC
- (3S,8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
- 英語名
- 5-ANDROSTENEDIOL
- 分子式
- C18H28O2
- 分子量
- 276.41
名称と別名
19-Nor-5-androstenediol19-Norandrostenediolestr-5-ene-3beta,17beta-diol25975-59-15N0V272KSAUNII-5N0V272KSA19-nor-5-androstene-3beta,17beta-diol5-NORENDIOLD5-Estrene-3b,17b-diolEstr-5-ene-3b,17b-diol19-NORJ1.680.819I
名称をさらに表示
ANDROSTENDIOLHERMAPHRODIOL5-ANDROSTENEDIOLNorandrostenediolANDROSTENEDIOL, 5-9-Nor-5-androstene-3β,17β-diol5-ANDROSTENE-3BETA,17BETA-DIOL19-Nor-5-androstene-3β,17β-diolEstr-5-ene-3,17-diol, (3β,17β)-
19-Nor-5-androstene-3b,17b-diol(3b,17b)-Estr-5-ene-3,17-diolESTR-5-ENE-3.BETA.,17.BETA.-DIOL3.ALPHA.,17.BETA.-DIHYDROXYESTR-5-ENE3.BET.A,17.BETA.-DIHYDROXYESTR-5-ENE19-NOR-5-ANDROSTENE-3.BETA.,17.BETA.-DIOL19-NOR-5-ANDROSTENE-3.BETA.O,17.BETA.-DIOLRefChem:79521
データベース識別子
- CAS
25975-59-1- PubChem CID
- 9900246
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 40.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 429
実験および物理化学的性質
Drugs
DEA NFLIS-Drug Category -> Steroids
DEA Schedule III Controlled Substance -> Anabolic steroids
Pharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C18 steroids (estrogens) and derivatives [ST0201]
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid
物理化学的性質
- 融点
- 152 · 152-157 °C(Solv: ethanol, 95% (64-17-5))
- 沸点
- 429.2 · 429.2±45.0 °C(Predicted)
- 比重(密度)
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- 溶解性
- Chloroform (Very Slightly, Sonicated), Methanol (Slightly)
- 外見
- Solid
- 酸解離定数(Pka)
- 15 · 15.00±0.60(Predicted)
- 色
- White to Off-White
安全と法規制
危険有害性情報
Regulatory InformationDEA schedule III controlled substance
安全データ
- hs_code
- 29061990
- DEA Controlled Substances
- CSCN: 4000CSA SCH: Schedule IIINARC: No
化学と産業
薬理情報
Cellular LocationsExtracellular
応用分野
使用9-Nor-5-androstene-3β,17β-diol is a synthetic anabolic steroid that interacts with androgen receptors. 9-Nor-5-androstene-3β,17β-diol has been studied as a new C19-steroidal androgen receptor modulato rs for potential treatment of prostate cancer.
サプライヤー3 社
艾吉析科技（上海）有限公司17717235263 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
重庆卡兰医药有限公司[email protected]
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