asimadoline (Q4806990)

Asimadoline (English)

4 October 2016

chemical formula

C₂₇H₃₀N₂O₂

1 reference

Asimadoline (English)

19 November 2016

canonical SMILES

CN(C(CN1CCC(C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

1 reference

Asimadoline (English)

19 November 2016

isomeric SMILES

CN([C@H](CN1CC[C@@H](C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

1 reference

Asimadoline (English)

InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1

19 November 2016

schematic

Asimadoline.png
3,162 × 1,601; 54 KB

0 references

Identifiers

InChI

1 reference

Asimadoline (English)

19 November 2016

1 reference

Global Substance Registration System

Asimadoline (English)

19 November 2016

2 references

UNII

D0VK52NV5M

asimadoline (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=153205-46-0

10 April 2021

1 reference

Asimadoline (English)

19 November 2016

2 references

Asimadoline (English)

19 November 2016

1 reference

ASIMADOLINE (English)

19 November 2016

2 references

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

DTXCID1087776

0 references

Guide to Pharmacology Ligand ID

9279

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

DrugBank ID

DB05104

1 reference

Global Substance Registration System

UNII

D0VK52NV5M

2 references

stated in

UNII

D0VK52NV5M

asimadoline (English)

19 November 2016