(Q83001706)

English

Sodium 2-(1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinolin-7-yl)propanoate

group of stereoisomers with the chemical formula C₂₂H₃₄NNaO₃

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Statements

group of stereoisomers

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chemical compound

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383.243638228 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄NNaO₃

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based on heuristic

inferred from SMILES

canonical SMILES

CC(C(=O)[O-])C1CCC2C3CCC4N(C)C(=O)CCC4(C)C3CCC12C.[Na+]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H](C(=O)[O-])[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C.[Na+]

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C22H35NO3.Na/c1-13(20(25)26)15-6-7-16-14-5-8-18-22(3,12-10-19(24)23(18)4)17(14)9-11-21(15,16)2;/h13-18H,5-12H2,1-4H3,(H,25,26);/q;+1/p-1/t13-,14?,15+,16?,17?,18+,21+,22+;/m0./s1

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YYCUWBQVSXIUSK-MMWNSLJISA-M

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

DTXSID201006087

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DSSTOX compound identifier

DTXCID101432962

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