(3R,4R)-3-methylfentanyl (Q27279625)

UNII-H488I3A7GJ (English)

14 October 2016

stereoisomer of

(3R,4S)-3-methylfentanyl

1 reference

inferred from InChI

(3S,4R)-3-methylfentanyl

2 references

inferred from InChIKey

inferred from InChI

(3S,4S)-3-methylfentanyl

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₂₃H₃₀N₂O

1 reference

UNII-H488I3A7GJ (English)

14 October 2016

canonical SMILES

CCC(=O)N(C1CCN(CC1C)CCC2=CC=CC=C2)C3=CC=CC=C3

1 reference

UNII-H488I3A7GJ (English)

14 October 2016

isomeric SMILES

CCC(=O)N([C@@H]1CCN(C[C@H]1C)CCC2=CC=CC=C2)C3=CC=CC=C3

1 reference

UNII-H488I3A7GJ (English)

InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-H488I3A7GJ (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-H488I3A7GJ (English)

14 October 2016

1 reference

UNII

H488I3A7GJ

(3R,4R)-3-methylfentanyl (English)

14 October 2016

1 reference

N-[(3R,4R)-3-Methyl-1-(2-phenylethyl)-4-piperidinyl]-N-phenylpropanamide (English)

14 October 2016

2 references

UNII-H488I3A7GJ (English)

14 October 2016

1 reference

CHEMBL38685 (English)

14 October 2016

2 references

inferred from InChIKey

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

1 reference

1 reference

DTXSID101036768

1 reference

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

H488I3A7GJ

(3R,4R)-3-methylfentanyl (English)

14 October 2016