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    Chemistry

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    Also known as: 17693-51-5, Promethazine 8-chlorotheophyllinate, S5pup23u26, Promethawern, Avopreg, Theophylline, 8-chloro-, compd. with 10-(2-dimethylaminopropyl)phenothiazine
    Molecular Formula
    C24H27ClN6O2S
    Molecular Weight
    499.0  g/mol
    InChI Key
    YCXARMXCESBEDS-UHFFFAOYSA-N
    FDA UNII
    S5PUP23U26
    Promethazine Teoclate
    1 2D Structure

    Promethazine Teoclate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    8-chloro-1,3-dimethyl-7H-purine-2,6-dione;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine
    2.1.2 InChI
    InChI=1S/C17H20N2S.C7H7ClN4O2/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11,13H,12H2,1-3H3;1-2H3,(H,9,10)
    2.1.3 InChI Key
    YCXARMXCESBEDS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    S5PUP23U26
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 17693-51-5

    2. Promethazine 8-chlorotheophyllinate

    3. S5pup23u26

    4. Promethawern

    5. Avopreg

    6. Theophylline, 8-chloro-, Compd. With 10-(2-dimethylaminopropyl)phenothiazine

    7. 8-chloro-1,3-dimethyl-7h-purine-2,6-dione;n,n-dimethyl-1-phenothiazin-10-ylpropan-2-amine

    8. Promethazini Teoclas [inn-latin]

    9. Promethazini Teoclas

    10. Promethazine Chlorotheophyllinate

    11. Teoclato De Prometazina

    12. Teoclate De Promethazine

    13. Einecs 241-691-0

    14. Teoclate De Promethazine [inn-french]

    15. Teoclato De Prometazina [inn-spanish]

    16. Unii-s5pup23u26

    17. Avomine (tn)

    18. Promethazine Teoclate [inn:ban:jan]

    19. Promethazine Compd. With 8-chlorotheophylline

    20. 8-chloro-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione Compd. With N,n,alpha-trimethyl-10h-phenothiazine-10-ethanamine (1:1)

    21. Schembl2143003

    22. Chembl3833361

    23. Chebi:32059

    24. Promethazine Teoclate (jan/inn)

    25. Promethazine Teoclate [inn]

    26. Promethazine Teoclate [jan]

    27. Promethazine Teoclate [mart.]

    28. 10-(2-dimethylaminopropyl)phenothiazine Compound Of 8-chlorotheophylline

    29. Promethazine Teoclate [who-dd]

    30. Theophylline, 8-chloro-, Compd. With 10-(2-(dimethylamino)propyl)phenothiazine (1:1)

    31. 1h-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, Compd. With N,n,alpha-trimethyl-10h-phenothiazine-10-ethanamine (1:1)

    32. D01242

    33. 693p515

    34. Promethazine Compd With 8-chlorotheophylline

    35. Q27288678

    36. Promethazine Compd With 8-chlorotheophylline [mi]

    37. 1h-purine-2,6-dione, 8-chloro-3,9-dihydro-1,3-dimethyl-, Compd. With N,n,.alpha.-trimethyl-10h-phenothiazine-10-ethanamine (1:1)

    38. Phenothiazine, 10-(2-(dimethylamino)propyl)-, Compd. With 8-chlorotheophylline (1:1)

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 499.0 g/mol
    Molecular Formula C24H27ClN6O2S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass498.1604730 g/mol
    Monoisotopic Mass498.1604730 g/mol
    Topological Polar Surface Area101 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity596
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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    [{"dataSource":"API Export","activeIngredients":"","year":"2023","qtr":"Q4","strtotime":1703874600,"product":"PHARMACEUTICAL RAW MATERIALS PROMETHAZINE TEOCLATE BP, BATCH NO. HPTCPR005, MFG.DT. AUGUST 2023, EXP.DT. JULY 2028,","address":"SHELTER ARCADE, SHOP NO.50,SECTOR","city":"NAVI MUMBAI MAHARASHTRA","supplier":"LAVINA PHARMACEUTICALS PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"TEMA","customer":"ERNEST CHEMISTS LIMITED","customerCountry":"GHANA","quantity":"100.00","actualQuantity":"100","unit":"KGS","unitRateFc":"96.9","totalValueFC":"9358.1","currency":"USD","unitRateINR":7790,"date":"30-Dec-2023","totalValueINR":"779000","totalValueInUsd":"9358.1","indian_port":"JNPT","hs_no":"29349990","bill_no":"6430730","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"GHANA","selfForZScoreResived":"Pharma Grade","supplierPort":"JNPT","supplierAddress":"SHELTER ARCADE, SHOP NO.50,SECTOR, NAVI MUMBAI MAHARASHTRA","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2024","qtr":"Q1","strtotime":1707849000,"product":"RAW MATERIAL USE IN PHARMACEUTICAL INDUSTRIES PROMETHAZINE TEOCLATE BP (AS PER INVOICE)","address":"814, `DEVPATH`, BESIDE LAL BUNGLOW,","city":"C.G.ROAD\/ AHMEDABD\/GUJARAT","supplier":"ESPEE PHARMA CHEM ","supplierCountry":"INDIA","foreign_port":"PORT HARCOURT","customer":"TO THE ORDER","customerCountry":"NIGERIA","quantity":"1000.00","actualQuantity":"1000","unit":"KGS","unitRateFc":"100","totalValueFC":"97647.4","currency":"USD","unitRateINR":8102.1724000000004,"date":"14-Feb-2024","totalValueINR":"8102172.4","totalValueInUsd":"97647.4","indian_port":"Ahmedabad ICD","hs_no":"29211990","bill_no":"7534531","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"NIGERIA","selfForZScoreResived":"Pharma Grade","supplierPort":"Ahmedabad ICD","supplierAddress":"814, `DEVPATH`, BESIDE LAL BUNGLOW,, C.G.ROAD\/ AHMEDABD\/GUJARAT","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2024","qtr":"Q1","strtotime":1708885800,"product":"PROMETHAZINE TEOCLATE BP (TAX INVOICE NO285 DT:21-02-2023)","address":"36\/A, VENGAL RAO NAGAR","city":"HYDERABAD","supplier":"HARIKA DRUGS","supplierCountry":"INDIA","foreign_port":"SHANGHAI","customer":"SHAANXI DIDEU MEDICHEM","customerCountry":"CHINA","quantity":"5.00","actualQuantity":"5","unit":"KGS","unitRateFc":"160","totalValueFC":"612.3","currency":"USD","unitRateINR":10161.200000000001,"date":"26-Feb-2024","totalValueINR":"50806","totalValueInUsd":"612.3","indian_port":"Hyderabad Air","hs_no":"29349990","bill_no":"7841663","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"Hyderabad Air","supplierAddress":"36\/A, VENGAL RAO NAGAR, HYDERABAD","customerAddress":""}]
    30-Dec-2023
    26-Feb-2024
    KGS
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