(1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(13,13,14-2H3)tetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one

• ChemBase编号: 130760
• 分子式: C19H28O2
• 平均质量: 288.42442
• 单一同位素质量: 288.20893014
• SMILES: [C@H]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CCC1=CC(=O)CC[C@]31C)C)O
• Canonical SMILES: O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
• InChI: InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
• InChIKey: MUMGGOZAMZWBJJ-DYKIIFRCSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(13,13,14-^2H₃)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one; (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(14-^2H)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one
• IUPAC传统名: (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(13,13,14-^2H₃)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one; (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(14-^2H)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one
• 别名: 睾酮-d3 溶液; 17β-羟基雄甾-4-烯-3-酮-16,16,17-d3; 睾酮-d3; Testosterone-d3 solution; Testosterone-d3; (17β)-17-Ηydroxyandrost-4-en-3-one-d3; 4-Androsten-17β-ol-3-one-d3; AndroGel-d3; Androderm-d3; Androlin-d3; (+)-Testosterone-d3; trans-Testosterone-d3; Testoderm-d3; Testogel-d3; Testolin-d3; Testro AQ-d3; Testrone-d3; Virosterone-d3; Testosterone-d3

登记号

• CAS号: 77546-39-5
• EC号: 203-794-9
• MDL号: MFCD00079586
• PubChem SID: 24900298; 24900063; 162225038
• PubChem CID: 45040472

理论计算性质

• Acid pKa: 19.08686
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.3654232
• LogD (pH = 7.4): 3.3654232
• Log P: 3.3654232
• 摩尔折射率: 84.4298 cm^3
• 极化性: 33.260063 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

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: White Solid
• 熔点: 148-150°C
• 闪点: 41 °F; 5 °C
• 质量偏移: M+3

安全信息

• 保存条件: Controlled Substance, -20°C Freezer
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 2252
• 德国WGK号: 1; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 60-61-11-19-20
• 安全公开号: 53-45
• GHS危险品标识: GHS02; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H225-H332-H360FD
• GHS警示性声明: P201-P210-P308 + P313
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 2252 3/PG 2
• 欧盟补充危害声明: May form explosive peroxides.
• 毒品管制信息: Home Office Schedule 4.2; USDEA Schedule III; Home Office Schedule 4.2
• 保存温度: 2-8°C

产品相关信息

• 浓度: 100 μg/mL in 1,2-dimethoxyethane
• 级别: analytical standard, for drug analysis
• 同位素纯度: 98 atom % D

详细说明

Toronto Research Chemicals - T155002

Labelled Testosterone (T155000). Principal hormone of the testes, produced by the interstitial cells. Major circulating androgen; converted by 5α-reductase in androgen-dependent target tissues to 5α-dehydrotestosterone which is required for normal male se

参考文献

• McFarland, K., et al.: Science, 245, 494 (1989)
• Heckert, L., et al.: Mol. Endocrinol., 12, 1499 (1989)
• Themmen, A., et al.: Endocr. Rev. 21, 551 (1989)
• Kumar, R., et al.: Biol. Reprod., 65, 710 (1989)