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    Chemistry

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    Also known as: Chembl1885559, Ccg-208528, Ncgc00163601-01, Sr-05000002208, Sr-05000002208-2
    Molecular Formula
    C28H34O15
    Molecular Weight
    610.6  g/mol
    InChI Key
    ARGKVCXINMKCAZ-QGFYHPQASA-N
    Neohesperidin
    1 2D Structure

    Neohesperidin

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
    2.1.2 InChI
    InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27?,28+/m0/s1
    2.1.3 InChI Key
    ARGKVCXINMKCAZ-QGFYHPQASA-N
    2.1.4 Canonical SMILES
    CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C[C@H]1[C@@H]([C@H]([C@H](C(O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Chembl1885559

    2. Ccg-208528

    3. Ncgc00163601-01

    4. Sr-05000002208

    5. Sr-05000002208-2

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 610.6 g/mol
    Molecular Formula C28H34O15
    XLogP3-0.5
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count7
    Exact Mass610.18977037 g/mol
    Monoisotopic Mass610.18977037 g/mol
    Topological Polar Surface Area234 Ų
    Heavy Atom Count43
    Formal Charge0
    Complexity940
    Isotope Atom Count0
    Defined Atom Stereocenter Count10
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    [{"dataSource":"API Import","activeIngredients":"","year":"2022","qtr":"Q1","strtotime":1644949800,"product":"NEOHESPERIDINE-DC (QTY:03 KGS)","address":"PLOT No.109\/3,PHASE-II, SECTOR-2, LANE No.6, IDA, CHERLAPALLY,","city":"HYDERABAD","supplier":"BORDAS","supplierCountry":"GERMANY","foreign_port":"NA","customer":"AAVISHKAR ORAL STRIPS PRIVATE LIMITED","customerCountry":"INDIA","quantity":"3.00","actualQuantity":"3","unit":"KGS","unitRateFc":"275","totalValueFC":"959.4","currency":"EUR","unitRateINR":"23971.7","date":"16-Feb-2022","totalValueINR":"71915.04","totalValueInUsd":"959.4","indian_port":"HYDERABAD AIR","hs_no":"29339990","bill_no":"7515163","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"PLOT No.109\/3,PHASE-II, SECTOR-2, LANE No.6, IDA, CHERLAPALLY,"},{"dataSource":"API Import","activeIngredients":"","year":"2022","qtr":"Q2","strtotime":1652898600,"product":"NEOHESPERIDIN (QTY: 1X30 MG,PRICE: USD 609)(FOC)","address":"P.NO. D6 & D8, SY.NO. 234\/2,234\/3, ,235\/2 & 542\/2, IKP KNOWLEDGE PARK,","city":"TURKAPALLY-V SHAMIRPET HYDERABAD,TE","supplier":"USP","supplierCountry":"INDIA","foreign_port":"NA","customer":"UNITED STATES PHARMACOPEIA - INDIA PRIVATE LIMITED","customerCountry":"INDIA","quantity":"0.00","actualQuantity":"0.00003","unit":"KGS","unitRateFc":"20300000","totalValueFC":"628.4","currency":"USD","unitRateINR":"1618864333","date":"19-May-2022","totalValueINR":"48565.93","totalValueInUsd":"628.4","indian_port":"HYDERABAD AIR","hs_no":"29389090","bill_no":"8746758","productDescription":"Re-Import","marketType":"REGULATED MARKET","country":"INDIA","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"P.NO. D6 & D8, SY.NO. 234\/2,234\/3, ,235\/2 & 542\/2, IKP KNOWLEDGE PARK,"},{"dataSource":"API Import","activeIngredients":"","year":"2022","qtr":"Q2","strtotime":1652898600,"product":"NEOHESPERIDIN DIHYDROCHALCONE (QTY: 1X500 MG,PRICE: USD 342)(FOC)","address":"P.NO. D6 & D8, SY.NO. 234\/2,234\/3, ,235\/2 & 542\/2, IKP KNOWLEDGE PARK,","city":"TURKAPALLY-V SHAMIRPET HYDERABAD,TE","supplier":"USP","supplierCountry":"INDIA","foreign_port":"NA","customer":"UNITED STATES PHARMACOPEIA - INDIA PRIVATE LIMITED","customerCountry":"INDIA","quantity":"0.00","actualQuantity":"0.0005","unit":"KGS","unitRateFc":"684000","totalValueFC":"352.9","currency":"USD","unitRateINR":"54546960","date":"19-May-2022","totalValueINR":"27273.48","totalValueInUsd":"352.9","indian_port":"HYDERABAD AIR","hs_no":"29389090","bill_no":"8746758","productDescription":"Re-Import","marketType":"REGULATED MARKET","country":"INDIA","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"P.NO. D6 & D8, SY.NO. 234\/2,234\/3, ,235\/2 & 542\/2, IKP KNOWLEDGE PARK,"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q2","strtotime":1717353000,"product":"RM514 NEOHESPERIDINE DIHYDROCHALCONE BATCH NO-24041971645","address":"103 104,ANTARIKSH,MAROL,MAKWANA,","city":"ANDHERI EAST MUMBAI, MAHARASHTRA","supplier":"QINGDAO FREE TRADE ","supplierCountry":"CHINA","foreign_port":"BEIJING","customer":"SENSIENT INDIA PRIVATE LIMITED","customerCountry":"INDIA","quantity":"5.00","actualQuantity":"5","unit":"KGS","unitRateFc":"250","totalValueFC":"1690.4","currency":"USD","unitRateINR":"28222.4","date":"03-Jun-2024","totalValueINR":"141111.84","totalValueInUsd":"1690.4","indian_port":"Bombay Air","hs_no":"29145000","bill_no":"3798780","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"BEIJING","supplierAddress":"18F, Huaren, International, Building 2A Shandong Road, Qingdao, China,266071 ., , China China","customerAddress":"103 104,ANTARIKSH,MAROL,MAKWANA,"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q3","strtotime":1722969000,"product":"NEOHESPERIDINE-DC(QTY:30.00 KGS)","address":"2-22-142\/7, F NO.303, SWAPNASREE","city":"KUKATPALLY, HYDERABAD, AP.","supplier":"BORDAS","supplierCountry":"SPAIN","foreign_port":"SEVILLA","customer":"AAVISHKAR ORAL STRIPS PRIVATE LIMITED","customerCountry":"INDIA","quantity":"30.00","actualQuantity":"30","unit":"KGS","unitRateFc":"305","totalValueFC":"13607.5","currency":"EUR","unitRateINR":"38045.9","date":"07-Aug-2024","totalValueINR":"1141376.39","totalValueInUsd":"13607.5","indian_port":"Hyderabad Air","hs_no":"29339990","bill_no":"4930895","productDescription":"API","marketType":"REGULATED MARKET","country":"SPAIN","selfForZScoreResived":"Pharma Grade","supplierPort":"SEVILLA","supplierAddress":"ACUEDUCTO 4-6 POL. IND. CARRETERALA ISLA 41703 - DOSHERMANAS (SEVILLA) ES","customerAddress":"2-22-142\/7, F NO.303, SWAPNASREE"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q3","strtotime":1725215400,"product":"NEOHESPERIDIN DIHYDROCHALCONE (AROMATIC CHEMICAL FOR INDUSTRIAL PERFUMERY COMPOUND) (RAW MATERIAL)","address":"DEVKARAN MANSION , 36, MAGALDAS","city":"MUMBAI \/ MAHARASHTRA","supplier":"CHENGDU KINDARCO BIOTECH CO; LTD","supplierCountry":"CHINA","foreign_port":"CHENGDU","customer":"KEVA FLAVOURS PRIVATE ","customerCountry":"INDIA","quantity":"1.00","actualQuantity":"1","unit":"KGS","unitRateFc":"253","totalValueFC":"335.5","currency":"USD","unitRateINR":"28119.1","date":"02-Sep-2024","totalValueINR":"28119.1","totalValueInUsd":"335.5","indian_port":"Bombay Air","hs_no":"29398000","bill_no":"5380568","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"CHENGDU","supplierAddress":"NO.274, MIDDLE HUANGHE RD, XIHANGGA NG, SHUANGLIU, CHENGDU, SICHUAN, CH INA (610000) China China","customerAddress":"DEVKARAN MANSION , 36, MAGALDAS"}]
    16-Feb-2022
    02-Sep-2024
    KGS
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