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Chemistry

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Also known as: Schembl193928
Molecular Formula
C22H20N4NaO8S2+
Molecular Weight
555.5  g/mol
InChI Key
REACMANCWHKJSM-WXNNVNCASA-N

Cefsulodin
1 2D Structure

Cefsulodin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-phenyl-2-sulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
2.1.2 InChI
InChI=1S/C22H20N4O8S2.Na/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);/q;+1/t15-,17?,21-;/m1./s1
2.1.3 InChI Key
REACMANCWHKJSM-WXNNVNCASA-N
2.1.4 Canonical SMILES
C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.[Na+]
2.1.5 Isomeric SMILES
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.[Na+]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl193928

2.3 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 555.5 g/mol
Molecular Formula C22H20N4NaO8S2+
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass555.06202524 g/mol
Monoisotopic Mass555.06202524 g/mol
Topological Polar Surface Area225 Ų
Heavy Atom Count37
Formal Charge1
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count2
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":"2022","qtr":"Q2","strtotime":1649788200,"product":"CEFSULODIN SODIUM","address":"PLOT NO.2, MAITRIVIHAR BEHIND MAITRIVANAM, AMEERPET","city":"HYDERABAD","supplier":"AUROBINDO PHARMA LIMITED","supplierCountry":"INDIA","foreign_port":"NEW YORK","customer":"IDEXX OPERATIONS INC","customerCountry":"UNITED STATES","quantity":"39.45","actualQuantity":"39.45","unit":"KGS","unitRateFc":"14000","totalValueFC":"543135.7","currency":"USD","unitRateINR":1038757.9214195183,"date":"13-Apr-2022","totalValueINR":"40979000","totalValueInUsd":"543135.7","indian_port":"HYDERABAD AIR","hs_no":"29419090","bill_no":"9685298","productDescription":"API","marketType":"REGULATED MARKET","country":"UNITED STATES","selfForZScoreResived":"Pharma Grade","supplierPort":"HYDERABAD AIR","supplierAddress":"PLOT NO.2, MAITRIVIHAR BEHIND MAITRIVANAM, AMEERPET, HYDERABAD","customerAddress":""}]
13-Apr-2022
13-Apr-2022
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