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CAS 184177-83-1
Also known as: 184177-83-1, 2-[(1s,2s)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3h-1,2,4-triazol-3-one, 2-[(1s,2s)-1-ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3h-1,2,4-triazol-3-one, 2-[(1s,2s)-1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phen, 4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-[(2s,3s)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one, 2-[(1s,2s)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3h-1,2,4-triazol-3-one
Molecular Formula
C30H35N5O3
Molecular Weight
513.6  g/mol
InChI Key
QLRPRKJUMRQTOV-IADCTJSHSA-N

1 2D Structure

CAS 184177-83-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one
2.1.2 InChI
InChI=1S/C30H35N5O3/c1-3-29(23(2)38-21-24-7-5-4-6-8-24)35-30(37)34(22-31-35)27-11-9-25(10-12-27)32-17-19-33(20-18-32)26-13-15-28(36)16-14-26/h4-16,22-23,29,36H,3,17-21H2,1-2H3/t23-,29-/m0/s1
2.1.3 InChI Key
QLRPRKJUMRQTOV-IADCTJSHSA-N
2.1.4 Canonical SMILES
CCC(C(C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)O
2.1.5 Isomeric SMILES
CC[C@@H]([C@H](C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 184177-83-1

2. 2-[(1s,2s)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3h-1,2,4-triazol-3-one

3. 2-[(1s,2s)-1-ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3h-1,2,4-triazol-3-one

4. 2-[(1s,2s)-1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phen

5. 4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-[(2s,3s)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one

6. 2-[(1s,2s)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3h-1,2,4-triazol-3-one

7. 1-((2s,3s)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)-piperazin-1-yl)phenyl)-1h-1,2,4-triazol-5(4h)-one

8. Schembl3960227

9. Bcp08707

10. Cs-m2661

11. Mfcd18374617

12. Zinc65740996

13. Akos015901158

14. 2-[(1s,2s)-1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3h-1,2,4-triazol-3-one

15. Ds-16617

16. F16787

17. Posaconazole Diastereoisomer Related Compound 6

18. 177e831

19. A812840

20. J-507563

21. 1-((2s,3s)-2-(benzyloxy)pentan-3-yl) -4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl) Phenyl)-1h-1,2,4-triazol-5(4h)-one

22. 1-((2s,3s)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl) Piperazin-1-yl)phenyl)-1h-1,2,4-triazol-5(4h)-one

23. 2-((2s,3r)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2h-1,2,4-triazol-3(4h)-one

24. 2-((2s,3s)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2,4-dihydro-3h-1,2,4-triazol-3-one

25. 2-((2s,3s)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2h-1,2,4-triazol-3(4h)-one

26. 3h-1,2,4-triazol-3-one,2-[(1s,2s)-1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-

2.3 Create Date
2010-07-06
3 Chemical and Physical Properties
Molecular Weight 513.6 g/mol
Molecular Formula C30H35N5O3
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass513.27399000 g/mol
Monoisotopic Mass513.27399000 g/mol
Topological Polar Surface Area71.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity766
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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184177-83-1
​Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D ...
​Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.
Shanghai Minbiotech CB

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184177-83-1
Posaconazole Intermediate B
We are CDMO engaged in drug impurities research, customed synthesis for almost 10 years. In addition, we ...
We are CDMO engaged in drug impurities research, customed synthesis for almost 10 years. In addition, we establish a long-term in-depth partnerships with many worldwide pharma, especially including USP, EP, LGC, Clearsynth, etc. Our main products cover drug impurity standards, intermediates, & other pharmaceutical refs. standards with customers' desired purity. Most of our products are in stock and at a competitive price. Posaconazole key intermediates are now available for kg specification bulk quote: POS-A,CAS#149809-43-8, POS-B, CAS#184177-83-1 Sacubitril/valsartan (LCZ696) intermediate: CAS#1012341-50-2 available for a bulk quote.
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Beijing Lunarsun pharma is a professional manufacturer of API and intermediates. The factory is approved ...
Beijing Lunarsun pharma is a professional manufacturer of API and intermediates. The factory is approved by US FDA. According to EU and US FDA's requirement, we supply following APIs and their intermediates with good quality and competitive price: Aztreonam,Doripenem, Dronedarone Hcl ,Erlotinib HCL, Febuxostat,Gemcitabine HCL, Ivabradine, Imatinib mesylate, Mecobalamin,Moxifloxacin, Nelarabine,Pemetrexed disodium, Posaconazole, Temozolomide, Voriconazole, Tebipenem pivoxil.NOTE: Products covered by valid patents in any country are not offered or supplied to these countries for commercial purpose.
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Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001....
Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001. It came from a subsidiary company of China National Pharmaceutical Industry Company affiliated to China National Pharmaceutical Group (CNPIC). BJ Zhongshuo runs a medicine R&D centre in Beijing Economic-Technological Development Area with over 20 experienced specialists and a batch of advanced equipment for experiment and detection. The centre deals with the R&D for innovated drugs and Generic drugs as well as the optimization and improvement on exiting products. The R&D centre is now able to deal with 10-15 new products per year.
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Chengdu Yazhong Bio-pharmaceutical Co., Ltd., founded in 2002, is a leading company with plant extracts, ...
Chengdu Yazhong Bio-pharmaceutical Co., Ltd., founded in 2002, is a leading company with plant extracts, APIs and medical intermediates. Our company is equipped with GMP approved manufacturing feasibilities and state-of-art test equipments, with big technical supports and cooperation by state scientific research institutions and universities.Core products: Diosmin, Diosmin/Hesperidin(90/10), Resveratrol, Ergosterol, Artemisinin.Documents for products:GMP availableMSDS availableStability Data availableDMF available
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Hunan Ouya Biological Company locates at Changsha National Biomedical Base; we are pharmaceutical manufac...
Hunan Ouya Biological Company locates at Changsha National Biomedical Base; we are pharmaceutical manufacturer with integrated R&D, production and individual sale. Ouya Biological Company has consecutively been identified as Scientific Innovation Enterprise by National Ministry of Science, High and New-Technology Enterprise by Hunan Province and one of Three-hundred Stars Enterprises by Changsha city. Our products have formed the five series step by step, it as the following: 1)Anti-tumor; 2)Anti-cardiovascular; 3)Anti-biotic; 4)Anti-migraine;5)Anti-HBV
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Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic Uni...
Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic University & Zhejiang University. We always focus on the market & customer needs, committee to researching, developing & marketing innovative products & services of pharmaceutical & health. Our Pharmaceutical Division: Committed to the R&D, promotion, distribution of APIs & intermediates, to provide various innovative products & technical solutions for China & global pharmaceutical markets. Our Health Division: Continuously tapping the natural active ingredients, combining traditional Chinese medicine theory, to develop functional foods.
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Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and ...
Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredients (APIs) for the global pharmaceutical companies. It provides value-added services in Contract Research, Custom Synthesis, and Specialties Scientific technology (Green Process, APIs Process Development, Polymorphism, Crystallisation and Purification) for Pharmaceutical and Life Sciences industry.
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A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.
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