(Q27289293)

Nolpitantium besilate (English)

14 October 2016

chemical formula

C₄₃H₅₀Cl₂N₂O₅S

1 reference

Nolpitantium besilate (English)

14 October 2016

canonical SMILES

CC(C)OC1=CC=CC(=C1)CC(=O)N2CCCC(C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl.C1=CC=C(C=C1)S(=O)(=O)[O-]

1 reference

Nolpitantium besilate (English)

14 October 2016

isomeric SMILES

CC(C)OC1=CC=CC(=C1)CC(=O)N2CCC[C@](C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl.C1=CC=C(C=C1)S(=O)(=O)[O-]

1 reference

Nolpitantium besilate (English)

InChI=1S/C37H45Cl2N2O2.C6H6O3S/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30;7-10(8,9)6-4-2-1-3-5-6/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1/t36?,37-,41?;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

Nolpitantium besilate (English)

PQRLQZNKDQQMBC-LSYPWIJNSA-M

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Nolpitantium besilate (English)

14 October 2016

1 reference

UNII

SN2G80PK4I

nolpitantium besilate (English)

14 October 2016

1 reference

Nolpitantium besilate (English)

14 October 2016

1 reference

Nolpitantium besilate (English)

14 October 2016

1 reference

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

NOLPITANTIUM BESILATE (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

SN2G80PK4I

nolpitantium besilate (English)