Cas no 1189671-48-4 (Etravirine-13C3)
Etravirine-13C3 is a stable isotope-labeled analog of Etravirine, where three carbon atoms are replaced with carbon-13 (13C). This compound is primarily used as an internal standard in quantitative mass spectrometry, ensuring high precision and accuracy in pharmacokinetic and metabolic studies. The incorporation of 13C isotopes minimizes interference with the analyte, enhancing method specificity and reliability. Etravirine-13C3 is particularly valuable in HIV research, facilitating the precise measurement of Etravirine concentrations in biological matrices. Its consistent isotopic purity and chemical stability make it a critical tool for advancing analytical methodologies in drug development and clinical diagnostics.
Etravirine-13C3 structure
Product Name:Etravirine-13C3
CAS No:1189671-48-4
MF:C20H15BrN6O
MW:438.254666566849
CID:895504
PubChem ID:71316697
Update Time:2025-10-23
Etravirine-13C3 Chemical and Physical Properties
Names and Identifiers
-
- Etravirine-13C3
- 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
- TMC 125-13C3
- 1189671-48-4
- AKOS030243127
- J-003964
- DTXSID10747777
- 4-{[6-Amino-5-bromo-2-(4-cyanoanilino)(4,5,6-~13~C_3_)pyrimidin-4-yl]oxy}-3,5-dimethylbenzonitrile
- 4-[6-amino-5-bromo-2-(4-cyanoanilino)(4,5,6-13C3)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
-
- Inchi： 1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)/i16+1,18+1,19+1
- InChI Key： PYGWGZALEOIKDF-WTZVUXPESA-N
- SMILES： Br[13C]1=[13C](N)N=C(N=[13C]1OC1C(C)=CC(C#N)=CC=1C)NC1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 437.05900
- Monoisotopic Mass: 437.05914g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 609
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 121?2
Experimental Properties
- Melting Point: >245°C (dec.)
- PSA: 120.64000
- LogP: 5.37156
Etravirine-13C3 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E937002-1mg |
Etravirine-13C3 |
1189671-48-4 | 1mg |
$ 380.00 | 2023-09-07 | ||
| TRC | E937002-10mg |
Etravirine-13C3 |
1189671-48-4 | 10mg |
$ 2951.00 | 2023-09-07 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-218447-1mg |
Etravirine-13C3, |
1189671-48-4 | 1mg |
￥4061.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-218447-1 mg |
Etravirine-13C3, |
1189671-48-4 | 1mg |
￥4,061.00 | 2023-07-10 |
Etravirine-13C3 Related Literature
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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