(Q82987815)

English

3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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356.140388972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₁ClN₄O

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1CC(CC(C#N)C(=N)O)CC2c3cccc4[nH]c(Cl)c(c34)CC21

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1C[C@H](CC(C#N)C(N)=O)CC2c3cccc4[nH]c(Cl)c(c34)C[C@H]21

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H21ClN4O/c1-24-9-10(5-11(8-21)19(22)25)6-13-12-3-2-4-15-17(12)14(7-16(13)24)18(20)23-15/h2-4,10-11,13,16,23H,5-7,9H2,1H3,(H2,22,25)/t10-,11?,13?,16-/m1/s1

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UHLNKIZONCIUCS-VYXACLINSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID301423165

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