hydroxynefazodone (Q27256142)

Hydroxynefazodone (English)

14 October 2016

chemical formula

C₂₅H₃₂ClN₅O₃

1 reference

Hydroxynefazodone (English)

14 October 2016

canonical SMILES

CC(C1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl)O

1 reference

Hydroxynefazodone (English)

14 October 2016

isomeric SMILES

ClC1=CC=CC(N2CCN(CCCN3/N=C(\N(C3=O)CCOC4=CC=CC=C4)/C(O)C)CC2)=C1

1 reference

2-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propyl)-2,4-dihydro-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one (English)

InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)17-18-34-23-9-3-2-4-10-23)12-6-11-28-13-15-29(16-14-28)22-8-5-7-21(26)19-22/h2-5,7-10,19-20,32H,6,11-18H2,1H3

14 October 2016

Identifiers

InChI

1 reference

Hydroxynefazodone (English)

14 October 2016

1 reference

Global Substance Registration System

Hydroxynefazodone (English)

14 October 2016

2 references

UNII

325402PVUU

hydroxynefazodone (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=98159-82-1

9 April 2021

1 reference

2-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propyl)-2,4-dihydro-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one (English)

14 October 2016

2 references

Hydroxynefazodone (English)

14 October 2016

ChEBI ID

186525

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)17-18-34-23-9-3-2-4-10-23)12-6-11-28-13-15-29(16-14-28)22-8-5-7-21(26)19-22/h2-5,7-10,19-20,32H,6,11-18H2,1H3

1 reference

1 reference

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

DTXSID60913420

1 reference

DSSTOX compound identifier

DTXCID20422720

0 references

Human Metabolome Database ID

HMDB0061040

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

UNII

325402PVUU

2 references

stated in

UNII

325402PVUU

hydroxynefazodone (English)

14 October 2016