(1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one

• ChemBase编号: 1327
• 分子式: C19H26O2
• 平均质量: 286.40854
• 单一同位素质量: 286.19328007
• SMILES: O[C@@H]1[C@@]2([C@H]([C@H]3[C@H](CC2)[C@@]2(C(=CC(=O)C=C2)CC3)C)CC1)C
• Canonical SMILES: O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
• InChI: InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
• InChIKey: RSIHSRDYCUFFLA-DYKIIFRCSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one; (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-3,6-dien-5-one
• IUPAC传统名: boldenone
• 商标名: Equipoise; Ganabol; Equigan; Ultragan
• 别名: 勃地酮; 1-脱氢睾酮; 17β-羟基-1,4-雄甾二烯-3-酮; 勃地酮; 去氢睾丸素; 宝丹酮; 1,4-ANDROSTADIEN-17β-OL-ONE; Boldenone; (17β)-17-Hydroxy-androsta-1,4-dien-3-one; 1-Testosterone; β-Boldenone; 17β-Boldenone; 1,4-androstadiene-3-one-17beta-ol; dehydrotestosterone; 1-Dehydrotestosterone; 17beta-Boldenone; delta1-Testosterone; 1,2-Didehydrotestosterone; 1,2-Dehydrotestosterone; Boldenonum [INN-Latin]; Boldenona [INN-Spanish]; DEA No. 4000; 1,4-Androstadien-17beta-ol-3-one; 17beta-Hydroxyandrosta-1,4-dien-3-one; 17-beta-Hydroxyandrosta-1,4-dien-3-one; 17beta-Hydroxyandrosta-1,4-diene-3-one; 17-beta-Hydroxy-17-alpha-1,4-androstadien-3-one; Boldenone; 1,4-Androstadien-17β-ol-3-one; 17β-Hydroxy-1,4-androstadien-3-one; Boldenone; 1-Dehydrotestosterone

登记号

• CAS号: 846-48-0
• EC号: 212-686-0
• MDL号: MFCD00037712
• Beilstein号: 6549081
• PubChem SID: 24870163; 46505583; 160964787
• PubChem CID: 13308

理论计算性质

JChem

• Acid pKa: 18.86361
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.3632467
• LogD (pH = 7.4): 3.3632467
• Log P: 3.3632467
• 摩尔折射率: 85.5231 cm^3
• 极化性: 33.02064 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 3.08
• LOG S: -4.04
• 溶解度: 2.59e-02 g/l

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: White Solid
• 熔点: 130-134°C

安全信息

• 保存条件: Controlled Substance, -20°C Freezer
• RTECS编号: BV7994400
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 毒品管制信息: USDEA Schedule III; Home Office Schedule 4.2; regulated under CDSA - not available from Sigma-Aldrich Canada; USDEA Schedule IIIN; regulated under CDSA - not available from Sigma-Aldrich Canada

产品相关信息

• 纯度: 98%
• 级别: VETRANAL™, analytical standard
• Empirical Formula (Hill Notation): C19H26O2

详细说明

MP Biomedicals - 05210990

MP Biomedicals Rare Chemical collection

DrugBank - DB01541

• Drug Groups: illicit; experimental
• Description: Boldenone is an anabolic steroid developed for veterinary use, mostly for treatment of horses. It is not indicated for use in humans in the US and is only available through veterinary clinics.
• Pharmacology: The activity of boldenone is mainly anabolic, with a low androgenic potency. The drug is commonly used in doping within bodybuilding, even though this use is illegal. If intended to assist in bodybuilding, the drug is taken as part of a steroid stack of other anabolic steroids, usually with a potent androgen like testosterone as the 'base' of the stack. Boldenone is an androgen that differs from 17b-testosterone (17b-T) by only one double bond at the 1-position, and the removal of the methyl group protecting the 17-OH group allows it to be orally active.
• Affected Organisms: Humans and other mammals
• Half Life: 14 days
• External Links: Wikipedia

Sigma Aldrich - 46431

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - B675100

Boldenone is an anabolic steroid. Controlled substance.

参考文献

• Watanabe, K., et al.: J. Appl. Bacteriol., 62, 151 (1987)
• Liu, W., et al.: J. Ind. Microbiol., 13, 167 (1987)
• Barthakur, S., et al.: J. Basic Microbiol., 36, 383 (1987)
• Grinenko, G., et al.: Pharmaceut. Chem. J., 36, 510 (1987)
• de Brabander, H., et al