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CAS 184177-81-9
Also known as: 184177-81-9, Phenyl n-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate, Phenyl {4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}carbamate, Smr000073777, Mls000062853, Phenyl {4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}carbamate
Molecular Formula
C23H23N3O3
Molecular Weight
389.4  g/mol
InChI Key
IKRKMYDCUZYKHX-UHFFFAOYSA-N

1 2D Structure

CAS 184177-81-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate
2.1.2 InChI
InChI=1S/C23H23N3O3/c27-21-12-10-20(11-13-21)26-16-14-25(15-17-26)19-8-6-18(7-9-19)24-23(28)29-22-4-2-1-3-5-22/h1-13,27H,14-17H2,(H,24,28)
2.1.3 InChI Key
IKRKMYDCUZYKHX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCN1C2=CC=C(C=C2)NC(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 184177-81-9

2. Phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate

3. Phenyl {4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}carbamate

4. Smr000073777

5. Mls000062853

6. Phenyl {4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl}carbamate

7. N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic Acid Phenyl Ester

8. Phenyl 4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenylcarbamate

9. Posaconazole Impurity 32

10. Mls002541909

11. Schembl3898025

12. Chembl1326856

13. Bdbm62766

14. Cid_1317528

15. Dtxsid10361710

16. Chebi:123196

17. Hms2495j06

18. Amy14801

19. Zinc1145861

20. Mfcd03784249

21. Stk147738

22. [4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic Acid Phenyl Ester

23. Akos000427516

24. Ac-28752

25. Ds-18226

26. Cs-0010883

27. A880789

28. Q27212868

29. Phenyl(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)carbamate

30. N-[4-[4-(4-hydroxyphenyl)piperazino]phenyl]carbamic Acid Phenyl Ester

31. Carbamic Acid,[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-,phenyl Ester (9ci)

2.3 Create Date
2005-07-10
3 Chemical and Physical Properties
Molecular Weight 389.4 g/mol
Molecular Formula C23H23N3O3
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass389.17394160 g/mol
Monoisotopic Mass389.17394160 g/mol
Topological Polar Surface Area65 Ų
Heavy Atom Count29
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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184177-83-1
Posaconazole
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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Digital Content Digital Content
URL Supplier Web Content
149809-43-8
Posaconazole
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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