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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: (2r)-2-hydroxy-2-(nitromethyl)butanedioic acid, Q27463937
Molecular Formula
C5H7NO7
Molecular Weight
193.11  g/mol
InChI Key
MTIGFRIXIPBOPZ-RXMQYKEDSA-N

Ntc
1 2D Structure

Ntc

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-2-hydroxy-2-(nitromethyl)butanedioic acid
2.1.2 InChI
InChI=1S/C5H7NO7/c7-3(8)1-5(11,4(9)10)2-6(12)13/h11H,1-2H2,(H,7,8)(H,9,10)/t5-/m1/s1
2.1.3 InChI Key
MTIGFRIXIPBOPZ-RXMQYKEDSA-N
2.1.4 Canonical SMILES
C(C(=O)O)C(C[N+](=O)[O-])(C(=O)O)O
2.1.5 Isomeric SMILES
C(C(=O)O)[C@@](C[N+](=O)[O-])(C(=O)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. (2r)-2-hydroxy-2-(nitromethyl)butanedioic Acid

2. Q27463937

2.3 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 193.11 g/mol
Molecular Formula C5H7NO7
XLogP3-1.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass193.02225156 g/mol
Monoisotopic Mass193.02225156 g/mol
Topological Polar Surface Area141 Ų
Heavy Atom Count13
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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[{"dataSource":"API Export","activeIngredients":"","year":"2024","qtr":"Q2","strtotime":1714329000,"product":"PHARMACEUTICAL-ACTIVE PHARMA INGREDIENTCALCIUM L-5-METHYLTETRAHYDR OFOLATE USP B.NO.PVO\/LMF\/23057 CAS NO 151533-22- 1","address":"401 FIFTH FLOOR, NAINDHARA APARTME","city":"AHMEDABAD, GUJARAT","supplier":"MOLKEM CHEMICALS PRIVATE ","supplierCountry":"INDIA","foreign_port":"GUARULHOS","customer":"TO THE ORDER","customerCountry":"BRAZIL","quantity":"1.20","actualQuantity":"1.2","unit":"KGS","unitRateFc":"5000","totalValueFC":"5763.7","currency":"USD","unitRateINR":401095,"date":"29-Apr-2024","totalValueINR":"481314","totalValueInUsd":"5763.7","indian_port":"Ahmedabad Air","hs_no":"29362990","bill_no":"9475011","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"BRAZIL","selfForZScoreResived":"Pharma Grade","supplierPort":"Ahmedabad Air","supplierAddress":"401 FIFTH FLOOR, NAINDHARA APARTME, AHMEDABAD, GUJARAT","customerAddress":""},{"dataSource":"API Import","activeIngredients":"","year":"2023","qtr":"Q4","strtotime":1701196200,"product":"(FOC) L100108 RLX ANTC (1GM X 1 PACK)","address":"2ND FLOOR, CHINUBHAI CENTRE,","city":"AHMEDABAD, GUJARAT","supplier":"INTAS PHARMACEUTICALS","supplierCountry":"GERMANY","foreign_port":"FRANKFURT\/MAIN INT\\'L","customer":"INTAS PHARMACEUTICALS","customerCountry":"INDIA","quantity":"0.00","actualQuantity":"1","unit":"GMS","unitRateFc":"62.3","totalValueFC":"208.5","currency":"USD","unitRateINR":"17360.8","date":"29-Nov-2023","totalValueINR":"17360.78","totalValueInUsd":"208.5","indian_port":"Bombay Air","hs_no":"29349990","bill_no":"8982507","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"FRANKFURT\/MAIN INT\\'L","supplierAddress":"SAGE HOUSE , 319PINNER ROAD , NORTH HARROWHA1 4HF GB","customerAddress":"2ND FLOOR, CHINUBHAI CENTRE,"},{"dataSource":"API Import","activeIngredients":"","year":"2023","qtr":"Q4","strtotime":1701196200,"product":"(FOC) L100230 RLX NTCA (5.0 GM X1 PACK)","address":"2ND FLOOR, CHINUBHAI CENTRE,","city":"AHMEDABAD, GUJARAT","supplier":"INTAS PHARMACEUTICALS","supplierCountry":"GERMANY","foreign_port":"FRANKFURT\/MAIN INT\\'L","customer":"INTAS PHARMACEUTICALS","customerCountry":"INDIA","quantity":"0.01","actualQuantity":"5","unit":"GMS","unitRateFc":"12.5","totalValueFC":"208.5","currency":"USD","unitRateINR":"3472.2","date":"29-Nov-2023","totalValueINR":"17360.78","totalValueInUsd":"208.5","indian_port":"Bombay Air","hs_no":"29349990","bill_no":"8982507","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"FRANKFURT\/MAIN INT\\'L","supplierAddress":"SAGE HOUSE , 319PINNER ROAD , NORTH HARROWHA1 4HF GB","customerAddress":"2ND FLOOR, CHINUBHAI CENTRE,"}]
29-Nov-2023
29-Apr-2024
KGS
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