(Q82959366)

English

2-[3-(Dimethylamino)propyl]-1,3-dioxooctahydro-1H-4,7-methanoisoindol-5-yl 1H-indole-3-carboxylate--hydrogen chloride (1/1)

group of stereoisomers with the chemical formula C₂₃H₂₈ClN₃O₄

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Statements

group of stereoisomers

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chemical compound

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445.176834056 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈ClN₃O₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN(C)CCCN1C(=O)C2C3CC(OC(=O)c4c[nH]c5ccccc45)C(C3)C2C1=O.Cl

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN(C)CCCN1C(=O)C2C(C1=O)[C@H]1C[C@@H]2CC1OC(=O)c1c[nH]c2ccccc12.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C23H27N3O4.ClH/c1-25(2)8-5-9-26-21(27)19-13-10-15(20(19)22(26)28)18(11-13)30-23(29)16-12-24-17-7-4-3-6-14(16)17;/h3-4,6-7,12-13,15,18-20,24H,5,8-11H2,1-2H3;1H/t13-,15+,18?,19?,20?;/m1./s1

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SEYPSTRDPZHIHU-HPTIFWHNSA-N

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID001402316

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