spiradoline (Q7577706)

SPIRADOLINE (English)

3 October 2016

chemical formula

C₂₂H₃₀Cl₂N₂O₂

1 reference

SPIRADOLINE (English)

3 October 2016

canonical SMILES

CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl

1 reference

SPIRADOLINE (English)

3 October 2016

isomeric SMILES

CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl

1 reference

SPIRADOLINE (English)

physically interacts with

3 October 2016

Opioid receptor, kappa 1

subject has role

agonist

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

1653

17 August 2016

1 reference

15 March 2018

1 reference

15 March 2018

1 reference

InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1

15 March 2018

0 references

Spiradoline synthesis.png
1,280 × 571; 178 KB

0 references

Commons category

Spiradoline

0 references

Identifiers

InChI

1 reference

SPIRADOLINE (English)

NYKCGQQJNVPOLU-ONTIZHBOSA-N

3 October 2016

InChIKey

1 reference

SPIRADOLINE (English)

imported from Wikimedia project

3 October 2016

CAS Registry Number

87151-85-7

2 references

English Wikipedia

InChIKey

NYKCGQQJNVPOLU-ONTIZHBOSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=87151-85-7

1 reference

spiradoline (English)

3 October 2016

1 reference

SPIRADOLINE (English)

3 October 2016

1 reference

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

SPIRADOLINE (English)

3 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID1028605

0 references

Guide to Pharmacology Ligand ID

1653

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

1653

spiradoline (English)

3 October 2016

1 reference

14 March 2018

1 reference