(Q105251813)

English

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

group of stereoisomers with the chemical formula C₃₀H₄₆N₂O

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Statements

group of stereoisomers

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pregnane steroid

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pregnane steroid

450.361014092 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₆N₂O

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canonical SMILES

CC(C1CCC2C3CCC4CC(NC(=O)c5ccccc5)CCC4(C)C3CCC21C)N(C)C

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isomeric SMILES

CC(C1CCC2C3CCC4C[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)C3CC[C@@]21C)N(C)C

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Identifiers

InChI=1S/C30H46N2O/c1-20(32(4)5)25-13-14-26-24-12-11-22-19-23(31-28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27H,11-19H2,1-5H3,(H,31,33)/t20?,22?,23-,24?,25?,26?,27?,29-,30+/m0/s1

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SFKPSOAYNYYOLN-RSEJFXGCSA-N

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based on heuristic

inferred from InChIKey

UniChem compound ID

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