(Q105163264)

English

N-[(7S,9aS,11aS)-1-[1-(dimethylamino)ethyl]-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl]-3-methylbut-2-enimidic acid

group of stereoisomers with the chemical formula C₂₈H₄₈N₂O

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Statements

group of stereoisomers

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pregnane steroid

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pregnane steroid

428.376664156 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₄₈N₂O

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canonical SMILES

CC(C)=CC(=O)NC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2C(C)N(C)C)C1

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isomeric SMILES

CC(C)=CC(=O)N[C@H]1CC[C@@]2(C)C(CCC3C4CCC(C(C)N(C)C)[C@@]4(C)CCC32)C1

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Identifiers

InChI=1S/C28H48N2O/c1-18(2)16-26(31)29-21-12-14-27(4)20(17-21)8-9-22-24-11-10-23(19(3)30(6)7)28(24,5)15-13-25(22)27/h16,19-25H,8-15,17H2,1-7H3,(H,29,31)/t19?,20?,21-,22?,23?,24?,25?,27-,28+/m0/s1

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MGEUOPIPYIANSI-PYTSBFTDSA-N

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1 reference

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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