(Q72482702)

English

Humantenmine

group of stereoisomers with the chemical formula C₁₉H₂₂N₂O₃

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Statements

group of stereoisomers

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chemical compound

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326.16304256399997 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₂N₂O₃

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canonical SMILES

CCC1=NC2CC3(C(=O)N(OC)c4ccccc43)C3CC1C2CO3

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3CC1[C@@H]2CO3

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H22N2O3/c1-3-14-11-8-17-19(9-15(20-14)12(11)10-24-17)13-6-4-5-7-16(13)21(23-2)18(19)22/h4-7,11-12,15,17H,3,8-10H2,1-2H3/t11?,12-,15-,17+,19-/m0/s1

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BIGABVPVCRHEES-BTOOUBFQSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

DTXSID601002625

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DSSTOX compound identifier

DTXCID201429558

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