基本情報
- CAS
1045-69-8- 標準SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
DJPZSBANTAQNFN-PXQJOHHUSA-N- 分子式
- C21H30O3
- 平均分子量
- 330.5 g/mol
- 単同位体質量
- 330.21949482
概要
Testosterone acetate is an androstanoid that is the acetate derivative of testosterone. It has a role as a human metabolite. It is a sterol ester, a 3-oxo-Delta(4) steroid and an androstanoid. It is functionally related to a testosterone.
名称と識別子
- 優先名称
- Testosterone, acetate
- IUPAC
- [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
- 現地名
- 3-オキソアンドロスタ-4-エン-17β-オールアセタート
- 英語名
- Testosterone acetate
- 分子式
- C21H30O3
- 分子量
- 330.46
名称と別名
Testosterone acetate1045-69-817beta-Acetoxy-4-androsten-3-one3-Oxoandrost-4-en-17beta-yl acetate17beta-Hydroxyandrost-4-en-3-one acetateTestosterone, acetate[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate5652105Y6SCHEBI:1652417beta-hydroxyandrost-4-en-3-one, 17-acetate4-Androsten-17-ol-3-one acetateNSC-523836
名称をさらに表示
17β-アセチルオキシアンドロスタ-4-エン-3-オンアセトステランドリル3-オキソアンドロスタ-4-エン-17β-オールアセタートアモリシンアセトテストビロン17β-アセトキシアンドロスタ-4-エン-3-オンテストステロンアセタート17β-アセトオキシ-4-アンドロステン-3-オン酢酸3-オキソアンドロスタ-4-エン-17β-イル酢酸テストステロン溶液テストステロンアセタート 溶液酢酸テストステロン(1S,3aS,3bR,9aR,9bS,11aS)-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル アセタート17β-アセトキシ-4-アンドロステン-3-オンskf5647SKF 5647Test AceNSC523836androtestaNSC 523836
((8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-17-yl) acetateRefChem:896634213-876-6Testosterone 17-acetateDeposteronAmolisinFarmatestAceto-sterandryl
データベース識別子
- CAS
1045-69-8- PubChem CID
- 92145
- DTXSID
DTXSID80909007- ChEMBL
CHEMBL488762- ChEBI
CHEBI:16524- UNII
- 5652105Y6S
- EC Number
- 213-876-6
- Nikkaji
- J38.390B
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 43.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 606
実験および物理化学的性質
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
SpringerMaterials PropertiesCrystal structure
Endocrine DisruptorsPotential endocrine disrupting compound
物理化学的性質
- 融点
- 139 · 139-141 °C
- 沸点
- 427.89 °C · 427.89°C (rough estimate)
- 比重(密度)
- 1.0234 · 1.0234 (rough estimate)
- 屈折率
- 1.6 · 1.6000 (estimate)
- 闪点
- 2 ℃ · 2℃
- 貯蔵温度
- -20 °C · Controlled Substance, -20°C Freezer
- 溶解性
- 1 mg/ml; · Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml
- 外見
- A crystalline solid
- 水溶解度
- 2.35 mg/L · 2.35mg/L(25℃)
- Merck
- 13 · 13,9255
- InChI
- InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/s3
- InChIKey
- DJPZSBANTAQNFN-PXQJOHHUSA-N
- SMILES
- [C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)OC(=O)C |&1:0,4,6,9,11,21,r|
- CAS データベース
- 1045 · 1045-69-8(CAS DataBase Reference)
- NISTの化学物質情報
- -4 · Androst-4-en-3-one, 17-(acetyloxy)-, (17«beta»)-(1045-69-8)
化学的性質
化学的特性White Solid
安全と法規制
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- wgk
- 3
- rtecs
- XA3061500
- ridadr
- UN 2811 6.1/PG 2
- risk_code
- 45-22-63-36-20/21/22-11
- hazard_code
- T,Xn,F
- safety_code
- 53-22-26-36-36/37-16
- 毒劇物取締法
- 劇物
化学と産業
応用分野
説明Testosterone acetate is an analytical reference standard categorized as an anabolic androgenic steroid. It is an ester of the naturally occurring androgen, testosterone. Testosterone acetate is regulated as a Schedule III compound in the United States. This product is intended for research and forensic applications.
使用Testosterone Acetate is a Controlled substance that is less popular due to Acetate solution, which is aqueous solution, instead of oil solution as other esterified versions of testosterone that is offering much longer half life. It does not have any medical uses when it comes with Acetate ester. However, taken in consideration that it works in the same way as any other esterified testosterone, it can be used for the same purposes as the esterified testosterones.
一般的な説明Testosterone acetate is an androgen ester and an intermediate in the synthesis of testosterone from progesterone, isolated from microorganisms.
上流・下流製品情報
下流製品
サプライヤー100 社
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補足説明
定義ChEBI: Testosterone acetate is an androstanoid that is the acetate derivative of testosterone. It has a role as a human metabolite. It is a sterol ester, an androstanoid and a 3-oxo-Delta(4) steroid. It is functionally related to a testosterone.
関連反応
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化合物ノート
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