(Q76003078)

English

(1R,6R,8R)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol

chemical compound

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Statements

type of chemical entity

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chemical compound

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361.24056461199996 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

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based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₁NO

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canonical SMILES

CC(C)(C)C1(O)CCN2CC3c4ccccc4CCc4cccc(c43)C2C1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)(C)[C@]1(CCN2C[C@@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@H]2C1)O

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Identifiers

InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1

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ZZJYIKPMDIWRSN-TZBSWOFLSA-N

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CAS Registry Number

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ZZJYIKPMDIWRSN-TZBSWOFLSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=36504-93-5

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mapping relation type

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ChEBI release 2021-03-01

UniChem compound ID

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DSSTox substance ID

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Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

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Probes And Drugs ID

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