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Chemistry

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Also known as:
Molecular Formula
C20H21N5O6
Molecular Weight
427.4  g/mol
InChI Key
WBXPDJSOTKVWSJ-CYBMUJFWSA-N

Pemetrexed
1 2D Structure

Pemetrexed

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
2.1.2 InChI
InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1
2.1.3 InChI Key
WBXPDJSOTKVWSJ-CYBMUJFWSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O
2.1.5 Isomeric SMILES
C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)N[C@H](CCC(=O)O)C(=O)O
2.2 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 427.4 g/mol
Molecular Formula C20H21N5O6
XLogP30.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass427.14918341 g/mol
Monoisotopic Mass427.14918341 g/mol
Topological Polar Surface Area187 A^2
Heavy Atom Count31
Formal Charge0
Complexity748
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameAlimta
PubMed HealthPemetrexed (Injection)
Drug ClassesAntineoplastic Agent
Drug LabelPemetrexed disodium heptahydrate has the chemical name L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, disodium salt, heptahydrate. It is a white to almost-white solid with a molecular formula of C...
Active IngredientPemetrexed; Pemetrexed disodium
Dosage FormInjectable
Routeinjection; Iv (infusion)
Strengtheq 500mg base/vial; 500mg; eq 100mg base/vial
Market StatusPrescription
CompanyLilly

2 of 2  
Drug NameAlimta
PubMed HealthPemetrexed (Injection)
Drug ClassesAntineoplastic Agent
Drug LabelPemetrexed disodium heptahydrate has the chemical name L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, disodium salt, heptahydrate. It is a white to almost-white solid with a molecular formula of C...
Active IngredientPemetrexed; Pemetrexed disodium
Dosage FormInjectable
Routeinjection; Iv (infusion)
Strengtheq 500mg base/vial; 500mg; eq 100mg base/vial
Market StatusPrescription
CompanyLilly

API SUPPLIERS

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PMDF220016#) (SB NO: 2163416\/16.06.22)","address":"","city":"","supplier":"NANG KUANG PHARMACEUTICAL CO., LTD","supplierCountry":"INDIA","foreign_port":"NA","customer":"SHILPA PHARMA LIFESCIENCES LIMITED","customerCountry":"INDIA","quantity":"7.00","actualQuantity":"7","unit":"KGS","unitRateFc":"20000","totalValueFC":"144503.7","currency":"USD","unitRateINR":"1696809.3","date":"07-Jun-2023","totalValueINR":"11877664.53","totalValueInUsd":"144503.7","indian_port":"MADRAS AIR","hs_no":"29141990","bill_no":"0","productDescription":"Re-Import","marketType":"REGULATED MARKET","country":"INDIA","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":""},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q1","strtotime":1705429800,"product":"PEMETREXED DISODIUM BATCH NO-3006L61C","address":"PLOT NO. 3, PHARMEZ, SEZ, SARKEHJ","city":"TAL- SANAND, DIST- AHMEDABAD","supplier":"XXANDXXG AXXONGXXHARXXCEUXXCALXXO.,XXTD","supplierCountry":"CHINA","foreign_port":"N\/A","customer":"ZYDUS LIFESCIENCES","customerCountry":"INDIA","quantity":"6.00","actualQuantity":"6","unit":"KGS","unitRateFc":"19333.3","totalValueFC":"117588.7","currency":"USD","unitRateINR":"1628833.3","date":"17-Jan-2024","totalValueINR":"9773000","totalValueInUsd":"117588.7","indian_port":"Ahmedabad-ZIPL-SEZ","hs_no":"29335990","bill_no":"1000206","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"N\/A","supplierAddress":"N\/A","customerAddress":"PLOT NO. 3, PHARMEZ, SEZ, SARKEHJ"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q2","strtotime":1712514600,"product":"PEMETREXED DISODIUM BATCH NO-3006L61C","address":"PLOT NO. 3, PHARMEZ, SEZ, SARKEHJ","city":"TAL- SANAND, DIST- AHMEDABAD","supplier":"SHANDONG ANHONG PHARMACEUTICAL CO., LTD.","supplierCountry":"CHINA","foreign_port":"N\/A","customer":"ZYDUS LIFESCIENCES","customerCountry":"INDIA","quantity":"6.00","actualQuantity":"6","unit":"KGS","unitRateFc":"17000","totalValueFC":"103029.3","currency":"USD","unitRateINR":"1433950","date":"08-Apr-2024","totalValueINR":"8603700","totalValueInUsd":"103029.3","indian_port":"Ahmedabad-ZIPL-SEZ","hs_no":"29335990","bill_no":"1001305","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"N\/A","supplierAddress":"NO. 29 HUAYUAN STREET, LINYI COUNTY,DEZHOU, SHANDONG,CHINASDNF","customerAddress":"PLOT NO. 3, PHARMEZ, SEZ, SARKEHJ"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q3","strtotime":1724697000,"product":"CHEMICAL : PEMETREXED DISODIUM","address":"10\/13, NR. M.N. DESAI PETROL PUMP","city":"AHMEDABAD, GUJARAT","supplier":"FLAVINE","supplierCountry":"CHINA","foreign_port":"BEIJING","customer":"SAKAR HEALTHCARE LIMITED","customerCountry":"INDIA","quantity":"0.35","actualQuantity":"350","unit":"GMS","unitRateFc":"13.5","totalValueFC":"5892.8","currency":"USD","unitRateINR":"1412.2","date":"27-Aug-2024","totalValueINR":"494280.31","totalValueInUsd":"5892.8","indian_port":"Ahmedabad Air","hs_no":"29335990","bill_no":"5274930","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"BEIJING","supplierAddress":"61 SOUTH PARAMUS ROAD, SUITE 565 PARAMUS, NEW JERSEY 07652 USASDNF UNITED STATES","customerAddress":"10\/13, NR. M.N. DESAI PETROL PUMP"}]
05-Jan-2021
28-Sep-2024
KGS
overview
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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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