(Q82984281)

English

N,N-Diethyl-N'-(6-methylergolin-8-yl)sulfuric diamide--hydrogen chloride (1/1)

group of stereoisomers with the chemical formula C₁₉H₂₉ClN₄O₂S

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Statements

group of stereoisomers

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chemical compound

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412.16997484800004 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₉ClN₄O₂S

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based on heuristic

inferred from SMILES

canonical SMILES

CCN(CC)S(=O)(=O)NC1CC2c3cccc4[nH]cc(c34)CC2N(C)C1.Cl

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H28N4O2S.ClH/c1-4-23(5-2)26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-20-17)9-18(16)22(3)12-14;/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3;1H/t14-,16?,18+;/m0./s1

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CXAMVUWEGXETIO-IVAWQFMLSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID601420627

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