(Q83019293)

English

Metformin mixture with saxagliptin

group of stereoisomers with the chemical formula C₂₂H₃₆N₈O₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

444.296122392 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆N₈O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN(C)C(=N)NC(=N)N.N#CC1CC2CC2N1C(=O)C(N)C12CC3CC(CC(O)(C3)C1)C2

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN(C)C(=N)NC(=N)N.N#C[C@H]1CC2C[C@H]2N1C(=O)[C@H](N)C12CC3CC(CC(O)(C3)C1)C2

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C18H25N3O2.C4H11N5/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;1-9(2)4(7)8-3(5)6/h10-15,23H,1-7,9,20H2;1-2H3,(H5,5,6,7,8)/t10?,11?,12?,13-,14-,15+,17?,18?;/m1./s1

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InChIKey

QUKZWYNGKYRRKE-RIKNOMPASA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID8075099

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(Q83019293)

Metformin mixture with saxagliptin

Statements

Identifiers

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