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    Chemistry

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    Also known as: 151878-23-8, Calcium;2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate, Calciumbutrol, Chembl2107713, Dtxsid00934356, Akos030254991
    Molecular Formula
    C18H32CaN4O9
    Molecular Weight
    488.5  g/mol
    InChI Key
    GCLKDXFGQNCFQW-UHFFFAOYSA-L
    Calcobutrol
    1 2D Structure

    Calcobutrol

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
    2.1.2 InChI
    InChI=1S/C18H34N4O9.Ca/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+2/p-2
    2.1.3 InChI Key
    GCLKDXFGQNCFQW-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C1CN(CCN(CCN(CCN1CC(=O)O)C(CO)C(CO)O)CC(=O)[O-])CC(=O)[O-].[Ca+2]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 151878-23-8

    2. Calcium;2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate

    3. Calciumbutrol

    4. Chembl2107713

    5. Dtxsid00934356

    6. Akos030254991

    7. Ac-31774

    8. Calcium 2,2'-[7-(carboxymethyl)-10-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4-diyl]diacetate

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 488.5 g/mol
    Molecular Formula C18H32CaN4O9
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count8
    Exact Mass488.1795195 g/mol
    Monoisotopic Mass488.1795195 g/mol
    Topological Polar Surface Area191 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity569
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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    GDUFA

    DMF Review : N/A

    Rev. Date :

    Pay. Date :

    DMF Number : 13063

    Submission : 1998-07-07

    Status : Active

    Type : IV

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    Beijing Beilu Pharmaceutical Co Ltd

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    DMF Review : N/A

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    DMF Number : 40545

    Submission : 2024-09-23

    Status : Active

    Type : IV

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    API Reference Price

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    [{"dataSource":"API Export","activeIngredients":"CALCOBUTROL","year":"2021","qtr":"Q1","strtotime":1611685800,"product":"CALCOBUTROL (TAX INV.NO:EXPORT-097\/2020 21 DT:21\/01\/2021","address":"43-11-56, SUBBALAKSHMI NAGARRAILWAY NEW COLONY","city":"VISAKHAPATNAM, A.P.","supplier":"SIONC PHARMACEUTICALS","supplierCountry":"INDIA","foreign_port":"SHANGHAI","customer":"HANGZHOU LEXSYN PHARMACEUTICALS","customerCountry":"CHINA","quantity":"0.20","actualQuantity":"200","unit":"GMS","unitRateFc":"1.5","totalValueFC":"310.5","currency":"USD","unitRateINR":113.56,"date":"27-Jan-2021","totalValueINR":"22712","totalValueInUsd":"310.5","indian_port":"HYDERABAD AIR","hs_no":"29332990","bill_no":"8193344","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"HYDERABAD AIR","supplierAddress":"43-11-56, SUBBALAKSHMI NAGARRAILWAY NEW COLONY, VISAKHAPATNAM, A.P.","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2021","qtr":"Q4","strtotime":1636050600,"product":"CALCOBUTROL SODIUM (TAX INVOICE NO:SPP21","address":"43-11-56, SUBBALAKSHMI NAGARRAILWAY NEW COLONY","city":"VISAKHAPATNAM, A.P.","supplier":"SIONC PHARMACEUTICALS","supplierCountry":"INDIA","foreign_port":"ISTANBUL","customer":"M\/S.MEDISOLAB DRUG DEVELOPMENT AND","customerCountry":"TURKEY","quantity":"0.03","actualQuantity":"25","unit":"GMS","unitRateFc":"2","totalValueFC":"40.3","currency":"USD","unitRateINR":120,"date":"05-Nov-2021","totalValueINR":"3000","totalValueInUsd":"40.3","indian_port":"HYDERABAD AIR","hs_no":"29332990","bill_no":"5827782","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"TURKEY","selfForZScoreResived":"Pharma Grade","supplierPort":"HYDERABAD AIR","supplierAddress":"43-11-56, SUBBALAKSHMI NAGARRAILWAY NEW COLONY, VISAKHAPATNAM, A.P.","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2022","qtr":"Q1","strtotime":1644172200,"product":"CALCOBUTROL SODIUM (TAX INVOICE NO:SPP21","address":"43-11-56, SUBBALAKSHMI NAGAR,RAILW AY NEW COLONY","city":"VISAKHAPATNAM,ANDHRA PRADESH","supplier":"SIONC PHARMACEUTICALS","supplierCountry":"INDIA","foreign_port":"ISTANBUL","customer":"BIEM ILAC SAN. VE TIC. A.S","customerCountry":"TURKEY","quantity":"0.38","actualQuantity":"375","unit":"GMS","unitRateFc":"2","totalValueFC":"667.1","currency":"USD","unitRateINR":133.33333333333334,"date":"07-Feb-2022","totalValueINR":"50000","totalValueInUsd":"667.1","indian_port":"HYDERABAD AIR","hs_no":"29332990","bill_no":"8045622","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"TURKEY","selfForZScoreResived":"Pharma Grade","supplierPort":"HYDERABAD AIR","supplierAddress":"43-11-56, SUBBALAKSHMI NAGAR,RAILW AY NEW COLONY, VISAKHAPATNAM,ANDHRA PRADESH","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2023","qtr":"Q4","strtotime":1699381800,"product":"CALCOBUTROL SODIUM (TAX INVOICE NO:SPP2324-U1ES-068, DT:01.11.2023)","address":"43-11-56, SUBBALAKSHMI NAGAR","city":"VISAKHAPATNAM, A.P.","supplier":"SIONC PHARMACEUTICALS","supplierCountry":"INDIA","foreign_port":"SHANGHAI","customer":"TO THE ORDER OF","customerCountry":"CHINA","quantity":"0.85","actualQuantity":"850","unit":"GMS","unitRateFc":"2","totalValueFC":"1669.3","currency":"USD","unitRateINR":163.52941176470588,"date":"08-Nov-2023","totalValueINR":"139000","totalValueInUsd":"1669.3","indian_port":"Hyderabad Air","hs_no":"29332990","bill_no":"5221152","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"Hyderabad Air","supplierAddress":"43-11-56, SUBBALAKSHMI NAGAR, VISAKHAPATNAM, A.P.","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2024","qtr":"Q1","strtotime":1710700200,"product":"CALCOBUTROL SODIUM","address":"5\/502, GARDEN ESTATE,","city":"THANE, MAHARASHTRA.","supplier":"AMTEC HEALTHCARE PVT LTD","supplierCountry":"INDIA","foreign_port":"ISTANBUL","customer":"TRANSFARMA DIS TICARET ANONIM SIR.,","customerCountry":"TURKEY","quantity":"0.12","actualQuantity":"120","unit":"GMS","unitRateFc":"4506","totalValueFC":"6150.6","currency":"INR","unitRateINR":4256,"date":"18-Mar-2024","totalValueINR":"510720","totalValueInUsd":"6150.6","indian_port":"Bombay Air","hs_no":"29332990","bill_no":"8414446","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"TURKEY","selfForZScoreResived":"Pharma Grade","supplierPort":"Bombay Air","supplierAddress":"5\/502, GARDEN ESTATE,, THANE, MAHARASHTRA.","customerAddress":""},{"dataSource":"API Import","activeIngredients":"","year":"2023","qtr":"Q1","strtotime":1677609000,"product":"CALCOBUTROL BATCH NO.CBTB1001","address":"211, VINDHYA APARTMENTS, AMEERPET,","city":"HYDERABAD.","supplier":"ENZYCHEM LIFESCIENCES CORPORATION","supplierCountry":"KOREA, REPUBLIC OF","foreign_port":"NA","customer":"ROERICH HEALTH CARE ","customerCountry":"INDIA","quantity":"0.00","actualQuantity":"3.1","unit":"GMS","unitRateFc":"160","totalValueFC":"504.4","currency":"USD","unitRateINR":"13384","date":"01-Mar-2023","totalValueINR":"41490.4","totalValueInUsd":"504.4","indian_port":"HYDERABAD AIR","hs_no":"29339990","bill_no":"4852426","productDescription":"API","marketType":"REGULATED MARKET","country":"KOREA,REPUBLIC OF","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"211, VINDHYA APARTMENTS, AMEERPET,"},{"dataSource":"API Import","activeIngredients":"","year":"2023","qtr":"Q4","strtotime":1697826600,"product":"CALCOBUTROL","address":"101, SITARAM MANSION,","city":"KAROL BAGH, NEW DELHI","supplier":"VONBIO CO LTD","supplierCountry":"KOREA, REPUBLIC OF","foreign_port":"SEOUL","customer":"JODAS EXPOIM PVT. LTD","customerCountry":"INDIA","quantity":"0.03","actualQuantity":"0.03","unit":"KGS","unitRateFc":"50000","totalValueFC":"1517.5","currency":"USD","unitRateINR":"4210000","date":"21-Oct-2023","totalValueINR":"126300","totalValueInUsd":"1517.5","indian_port":"Hyderabad Air","hs_no":"29339990","bill_no":"8405840","productDescription":"API","marketType":"REGULATED MARKET","country":"KOREA,REPUBLIC OF","selfForZScoreResived":"Pharma Grade","supplierPort":"SEOUL","supplierAddress":"SHINDAEWON B\/D 3F 302 JUNGDAE ROSDNFSDNF Korea, Republic of","customerAddress":"101, SITARAM MANSION,"}]
    27-Jan-2021
    18-Mar-2024
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