(Q82987063)

English

7-Chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl hexopyranosiduronic acid

group of stereoisomers with the chemical formula C₂₂H₂₀Cl₂N₂O₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

510.05967096 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₀Cl₂N₂O₈

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1C(=O)C(OC2OC(C(=O)O)C(O)C(O)C2O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1C(=O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C22H20Cl2N2O8/c1-26-13-7-6-9(23)8-11(13)14(10-4-2-3-5-12(10)24)25-19(20(26)30)34-22-17(29)15(27)16(28)18(33-22)21(31)32/h2-8,15-19,22,27-29H,1H3,(H,31,32)/t15-,16-,17+,18-,19?,22-/m0/s1

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InChIKey

NBILRGWHLWNKBM-RYQNVSPKSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID401422603

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(Q82987063)

7-Chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl hexopyranosiduronic acid

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