(Q82899957)

English

N-[(2-Bromo-6-propylergolin-8-yl)carbonyl]-N-[3-(dimethylamino)propyl]-N'-ethylcarbamimidic acid

group of stereoisomers with the chemical formula C₂₆H₃₈BrN₅O₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

531.2208875560001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈BrN₅O₂

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based on heuristic

inferred from SMILES

canonical SMILES

CCCN1CC(C(=O)N(CCCN(C)C)C(O)=NCC)CC2c3cccc4[nH]c(Br)c(c34)CC21

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)CC2c3cccc4[nH]c(Br)c(c34)C[C@H]21

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C26H38BrN5O2/c1-5-11-31-16-17(25(33)32(26(34)28-6-2)13-8-12-30(3)4)14-19-18-9-7-10-21-23(18)20(15-22(19)31)24(27)29-21/h7,9-10,17,19,22,29H,5-6,8,11-16H2,1-4H3,(H,28,34)/t17-,19?,22-/m1/s1

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InChIKey

GLKOUABGPOYJSM-MVPHGSNYSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID601354416

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(Q82899957)

N-[(2-Bromo-6-propylergolin-8-yl)carbonyl]-N-[3-(dimethylamino)propyl]-N'-ethylcarbamimidic acid

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