nalfurafine (Q6960874)

Nalfurafine (English)

18 November 2016

chemical formula

C₂₈H₃₂N₂O₅

1 reference

Nalfurafine (English)

18 November 2016

canonical SMILES

CN(C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)C=CC7=COC=C7

1 reference

Nalfurafine (English)

18 November 2016

isomeric SMILES

CN([C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)/C=C/C7=COC=C7

1 reference

Nalfurafine (English)

physically interacts with

18 November 2016

opioid receptor kappa 1

subject has role

agonist

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

1651

InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4 /t20-,22-,26 ,27 ,28-/m1/s1

17 August 2016

Identifiers

InChI

1 reference

Nalfurafine (English)

18 November 2016

2 references

Nalfurafine (English)

18 November 2016

ChEBI release 2020-09-01

3 references

Nalfurafine (English)

http://chem.sis.nlm.nih.gov/chemidplus/rn/152657-84-6

27 March 2016

reference URL

Global Substance Registration System

UNII

XC41AVD567

nalfurafine (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=152657-84-6

9 April 2021

1 reference

Nalfurafine (English)

18 November 2016

2 references

Nalfurafine (English)

18 November 2016

ChEBI ID

136019

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4 /t20-,22-,26 ,27 ,28-/m1/s1

1 reference

NALFURAFINE (English)

18 November 2016

2 references

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID201334224

0 references

ATC code

V03AX02

0 references

Guide to Pharmacology Ligand ID

1651

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

1651

nalfurafine (English)

18 November 2016

DrugBank ID

DB13471

1 reference

3 references

Nalfurafine (English)

http://chem.sis.nlm.nih.gov/chemidplus/rn/152657-84-6

27 March 2016

reference URL

Global Substance Registration System

UNII

XC41AVD567

nalfurafine (English)

18 November 2016