uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04155918
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IDENTITY
结构与身份
- 标准SMILES
- C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]21C
- InChIKey
- UXYRZJKIQKRJCF-TZPFWLJSSA-N
- 分子式
- C20H32O2
- 平均分子量
- 304.5 g/mol
- 单同位素质量
- 304.24023026
COMPUTED
结构计算性质
- XLogP
- 4.1
- 极性表面积
- 37.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 22
- 形式电荷
- 0
- 复杂度
- 486
PROPERTIES
实验与物化性质
Melting Point
204 °C
Physical Description
Solid
GHS
GHS分类
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 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
Regulatory Information
DEA schedule III controlled substance
Status: Active Update: 30-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12497
Hazard Classes and Categories
Acute Tox. 4 (97.5%)；Acute Tox. 4 (97.5%)；Acute Tox. 4 (97.5%)
REGULATORY
法规信息
Regulatory Information
DEA schedule III controlled substance
Status: Active Update: 30-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12497
PHARMACOLOGY
药理信息
ATC Code
G03BB01
G - Genito urinary system and sex hormones；G03 - Sex hormones and modulators of the genital system；G03B - Androgens；G03BB - 5-androstanon (3) derivatives；G03BB01 - Mesterolone
QG - Genito urinary system and sex hormones；QG03 - Sex hormones and modulators of the genital system；QG03B - Androgens；QG03BB - 5-androstanon (3) derivatives；QG03BB01 - Mesterolone
MeSH Pharmacological Classification
These compounds stimulate anabolism and inhibit catabolism. They stimulate the development of muscle mass, strength, and power.
Cellular Locations
Extracellular；Membrane
ALIASES
名称与别名
MesteroloneAndrovironProviron1424-00-6TestiwopSH 723MesterolonaMesterolonum17beta-Hydroxy-1alpha-methyl-5alpha-androstan-3-oneSH-723Pro-VironNSC-750540SRQ75X9I9DTXSID90878533(1S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-oneAndrostan-3-one, 17-hydroxy-1-methyl-, (1alpha,5alpha,17beta)-NSC750541alpha-methyl-5alpha-androstan-17beta-ol-3-one(1S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-oneRefChem:389115
REACTIONS
