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Chemistry

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Also known as: 1248-42-6, Pitofenone hcl, Pitophenone hydrochloride, He1za4zbex, Baralgin, Baralginketone
Molecular Formula
C22H26ClNO4
Molecular Weight
403.9  g/mol
InChI Key
ZRFIFDFEDPJBII-UHFFFAOYSA-N
FDA UNII
HE1ZA4ZBEX

Pitofenone
1 2D Structure

Pitofenone

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate;hydrochloride
2.1.2 InChI
InChI=1S/C22H25NO4.ClH/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23;/h3-4,7-12H,2,5-6,13-16H2,1H3;1H
2.1.3 InChI Key
ZRFIFDFEDPJBII-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)OCCN3CCCCC3.Cl
2.2 Other Identifiers
2.2.1 UNII
HE1ZA4ZBEX
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Baralginketone

2. Methyl 2-(4-(2-piperid-1-ylethoxy)benzoyl) Benzoate

3. Pitofenone

4. Pitophenon

2.3.2 Depositor-Supplied Synonyms

1. 1248-42-6

2. Pitofenone Hcl

3. Pitophenone Hydrochloride

4. He1za4zbex

5. Baralgin

6. Baralginketone

7. Benzoic Acid, 2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]-, Methyl Ester, Hydrochloride (1:1)

8. Bulgarketone

9. Methyl 2-(4-(2-piperidinoethoxy)benzoyl)benzoate Hydrochloride

10. Methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate Hydrochloride

11. Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate Hydrochloride

12. Dsstox_cid_26461

13. Dsstox_rid_81635

14. Dsstox_gsid_46461

15. Methyl 2-(4-(2-(piperidin-1-yl)ethoxy)benzoyl)benzoate Hydrochloride

16. Cas-1248-42-6

17. Unii-he1za4zbex

18. Ncgc00164586-01

19. Einecs 214-999-8

20. Pitofenonehydrochloride

21. Pitophenone Hcl

22. O-(p-(2-piperidinoethoxy)benzoyl)benzoic Acid Methyl Ester Hydrochloride

23. Benzoic Acid, O-(p-(2-piperidinoethoxy)benzoyl)-, Methyl Ester, Hydrochloride

24. Benzoic Acid, 2-(4-(2-(1-piperidinyl)ethoxy)benzoyl)-, Methyl Ester, Hydrochloride

25. Baralgin Ketone Hydrochloride

26. Schembl4389235

27. Chembl2359023

28. Dtxsid7046461

29. Tox21_112212

30. Methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate;hydrochloride

31. Akos037515594

32. Tox21_112212_1

33. Pitofenone Hydrochloride [mart.]

34. Ncgc00164586-02

35. Pitofenone Hydrochloride [who-dd]

36. Bs-14806

37. Hy-110389

38. Cs-0034673

39. Ft-0673951

40. L10148

41. Methyl 2-(4-(2-piperidinoethoxy)benzoyl)benzoate Hcl

42. Q27279883

43. 4'-(beta-piperidinoethoxy)-2-(carbomethoxy)benzophenone Etaydrochloride

44. 2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzoic Acid Methyl Ester Hydrochloride

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 403.9 g/mol
Molecular Formula C22H26ClNO4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass403.1550360 g/mol
Monoisotopic Mass403.1550360 g/mol
Topological Polar Surface Area55.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API SUPPLIERS

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01

Chynops Pharma

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothChynops Pharma is an ideal sourcing partner for high-quality APIs, advanced intermediates, speciality chemicals & excipients.

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USDMF CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
Chynops Pharma

02

Centaur Pharmaceuticals

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Discovery on Target
Not Confirmed
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Centaur Pharmaceuticals

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Discovery on Target
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03

Tivan Sciences

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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04

Global Calcium

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Discovery on Target
Not Confirmed
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Global Calcium

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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05

R L Fine Chem

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Not Confirmed
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R L Fine Chem

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Not Confirmed
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06

R L Fine Chem

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Not Confirmed
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R L Fine Chem

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Discovery on Target
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API Reference Price

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INTERNATIONAL","supplierCountry":"INDIA","foreign_port":"MOSCOW","customer":"OF","customerCountry":"RUSSIA","quantity":"80.00","actualQuantity":"80","unit":"KGS","unitRateFc":"73480","totalValueFC":"70221.6","currency":"INR","unitRateINR":72952.931750000003,"date":"04-Jan-2024","totalValueINR":"5836234.54","totalValueInUsd":"70221.6","indian_port":"Bombay Air","hs_no":"29333990","bill_no":"6524532","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"RUSSIA","selfForZScoreResived":"Pharma Grade","supplierPort":"Bombay Air","supplierAddress":"202,KUNTAL,MODY ESTATES,L.B.S.MARG,, MUMBAI, MAHARASHTRA.","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2024","qtr":"Q2","strtotime":1719599400,"product":"PITOFENONE HCL [ACTIVE PHARMACEUTICAL INGREDIENTS]","address":"CENTAUR HOUSE, SHANTI NAGAR,","city":"MUMBAI ,MAHARASHTRA","supplier":"CENTAUR PHARMACEUTICALS","supplierCountry":"INDIA","foreign_port":"PRAGUE - RUZYNE","customer":"TO THE 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OF","customerCountry":"GERMANY","quantity":"75.00","actualQuantity":"75","unit":"KGS","unitRateFc":"950","totalValueFC":"69983.9","currency":"USD","unitRateINR":78268.662000000011,"date":"13-Aug-2024","totalValueINR":"5870149.65","totalValueInUsd":"69983.9","indian_port":"Bangalore Air","hs_no":"29420090","bill_no":"3190180","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"Bangalore Air","supplierAddress":"RAY HOUSE, HIG 2000,,MOTHER DIARY, BANGALORE,KARNATAKA","customerAddress":""}]
05-Jan-2021
13-Aug-2024
KGS
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Average Price (USD/KGS)

Number of Transactions

Total Quantity (KGS)

Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

Importing Country Total Quantity
(KGS)
Average Price
(USD/KGS)
Number of Transactions

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