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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

CAS 184177-83-1
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

BUILDING BLOCK

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Virtual BoothShanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

1-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hy...

CAS Number : 184177-83-1

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About the Company : ​Headquartered in Fengxian District, Shanghai Minbiotech Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. Th...

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euroPLX 86 Munich
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Posaconazole Intermediate B

CAS Number : 184177-83-1

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About the Company : 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, especial...

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2-[(1S,2S)-1-Ethyl-2-bezyloxypropyl]-2,4-dihydro-4...

CAS Number : 184177-83-1

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About the Company : 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 an...

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2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-...

CAS Number : 184177-83-1

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About the Company : Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001. It came from a subsidiary company of China National Pharmaceutical Industry Com...

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2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4...

CAS Number : 184177-83-1

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About the Company : 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 manufa...

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2-[(IS,2S)-1-Ethyl-2-penzyloxypropyl]-2,4-dihydro-...

CAS Number : 184177-83-1

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About the Company : Hunan Ouya Biological Company locates at Changsha National Biomedical Base; we are pharmaceutical manufacturer with integrated R&D, production and individual sale. Ouya Biological Compa...

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2-[(1S,2S)-2-Benzyloxy-1-ethyl-propyl]-4-[4-[4-(4-...

CAS Number : 184177-83-1

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About the Company : 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, c...

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2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4...

CAS Number : 184177-83-1

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About the Company : Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredie...

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2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-...

CAS Number : 184177-83-1

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About the Company : Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplying, and custom synsthesis latest chemicals. Our products cover all kinds of range...

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2-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4- h...

CAS Number : 184177-83-1

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About the Company : Smilax Laboratories Limited is a research-driven, vertically integrated pharmaceutical company manufacturing Active Pharmaceutical Ingredients, API Intermediates and NDDS/Pellets for th...

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