(Q105313816)

English

(4S,7R)-N-(1-hydroxypropan-2-yl)-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

group of stereoisomers with the chemical formula C₁₉H₂₃N₃O₂

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Statements

group of stereoisomers

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ergoline alkaloid

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ergoline alkaloid

325.17902697600005 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₉H₂₃N₃O₂

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canonical SMILES

CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1

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isomeric SMILES

CC(CO)NC(=O)[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1

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Identifiers

InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11?,13-,17+/m0/s1

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WVVSZNPYNCNODU-OAQWYYJWSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WVVSZNPYNCNODU-OAQWYYJWSA-N

UniChem compound ID

1 reference

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