(Q82969373)

English

2,3-Dihydroxybutanedioic acid--N,N-diethyl-N'-(6-methylergolin-8-yl)carbamohydrazonic acid (1/1)

group of stereoisomers with the chemical formula C₂₄H₃₅N₅O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

505.2536484599999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₅N₅O₇

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based on heuristic

inferred from SMILES

canonical SMILES

CCN(CC)C(O)=NNC1CC2c3cccc4[nH]cc(c34)CC2N(C)C1.O=C(O)C(O)C(O)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCN(CC)C(O)=NN[C@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)[C@H](O)[C@@H](O)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C20H29N5O.C4H6O6/c1-4-25(5-2)20(26)23-22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)24(3)12-14;5-1(3(7)8)2(6)4(9)10/h6-8,11,14,16,18,21-22H,4-5,9-10,12H2,1-3H3,(H,23,26);1-2,5-6H,(H,7,8)(H,9,10)/t14-,16?,18+;1-,2-/m01/s1

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InChIKey

TZQKJZDRXWSRQB-GLVBTTPWSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID901409838

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(Q82969373)

2,3-Dihydroxybutanedioic acid--N,N-diethyl-N'-(6-methylergolin-8-yl)carbamohydrazonic acid (1/1)

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