General Information
Drug ID
DR00468
Drug Name
Nefazodone
Synonyms
1-(3-(4-(3-Chlorpheyl-1-piperazinylpropyl)-3-ethyl-4,5-dihydro-4-(2-phenoxyethyl)-1,2,4-triazol-5-on; 1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta2-1,2,4-triazolin-5-one; 2-[3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one; 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one; 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one; 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-[2-(phenyloxy)ethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one; Nefadar (TN); Nefazodona; Nefazodona [Spanish]; Nefazodone (INN); Nefazodone Hcl; Nefazodone [INN:BAN]; Nefazodonum; Nefazodonum [Latin]; Serzone (TN)
Drug Type
Small molecular drug
Therapeutic Class
Antidepressants
Structure
3D MOL 2D MOL
Formula
C25H32ClN5O2
Canonical SMILES
CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
InChIKey
VRBKIVRKKCLPHA-UHFFFAOYSA-N
CAS Number
CAS 83366-66-9
Pharmaceutical Properties Molecular Weight 470 Topological Polar Surface Area 51.6
Heavy Atom Count 33 Rotatable Bond Count 10
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5
XLogP
4.3
PubChem CID
4449
PubChem SID
103188221 ,103963508 ,104306436 ,121362268 ,124799827 ,124893191 ,125358294 ,126656776 ,126684012 ,127339542 ,127339543 ,127339544 ,127339545 ,129514880 ,131327475 ,134337370 ,135020756 ,137001425 ,142052543 ,144076337 ,14858579 ,152046617 ,160964483 ,163409603 ,164828567 ,172862753 ,175268308 ,175610915 ,176484419 ,29217604 ,29223544 ,4634333 ,46508323 ,48416316 ,49665930 ,49666410 ,50057418 ,50111710 ,50788542 ,56464118 ,57322274 ,7980102 ,8152743 ,85209875 ,85789114 ,89736110 ,92309073 ,93166947 ,9465 ,96024945
ChEBI ID
ChEBI:7494
TTD Drug ID
D0X7DE

If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.