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Details

Stereochemistry ACHIRAL
Molecular Formula C25H32ClN5O2.ClH
Molecular Weight 506.468
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-(4-(4-CHLOROPHENYL)-1-PIPERAZINYL)PROPYL)-5-ETHYL-2,4-DIHYDRO-4-(2-PHENOXYETHYL)-3H-1,2,4-TRIAZOL-3-ONE HYDROCHLORIDE

SMILES

Cl.CCC1=NN(CCCN2CCN(CC2)C3=CC=C(Cl)C=C3)C(=O)N1CCOC4=CC=CC=C4

InChI

InChIKey=CKNXJCHTJDOGRX-UHFFFAOYSA-N
InChI=1S/C25H32ClN5O2.ClH/c1-2-24-27-31(25(32)30(24)19-20-33-23-7-4-3-5-8-23)14-6-13-28-15-17-29(18-16-28)22-11-9-21(26)10-12-22;/h3-5,7-12H,2,6,13-20H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C25H32ClN5O2
Molecular Weight 470.007
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:17:30 GMT 2023
Edited
by admin
on Sat Dec 16 09:17:30 GMT 2023
Record UNII
3N0G493ECC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-(4-(4-CHLOROPHENYL)-1-PIPERAZINYL)PROPYL)-5-ETHYL-2,4-DIHYDRO-4-(2-PHENOXYETHYL)-3H-1,2,4-TRIAZOL-3-ONE HYDROCHLORIDE
Systematic Name English
NEFAZODONE RELATED COMPOUND B [USP IMPURITY]
Common Name English
NEFAZODONE RELATED COMPOUND B [USP-RS]
Common Name English
NEFAZODONE RELATED COMPOUND B
USP  
Common Name English
NEFAZODONE 4-CHLORO ISOMER HYDROCHLORIDE
Common Name English
NEFAZODONE PARA-CHLORO ISOMER HYDROCHLORIDE
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1457924
Created by admin on Sat Dec 16 09:17:30 GMT 2023 , Edited by admin on Sat Dec 16 09:17:30 GMT 2023
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FDA UNII
3N0G493ECC
Created by admin on Sat Dec 16 09:17:30 GMT 2023 , Edited by admin on Sat Dec 16 09:17:30 GMT 2023
PRIMARY
PUBCHEM
76958409
Created by admin on Sat Dec 16 09:17:30 GMT 2023 , Edited by admin on Sat Dec 16 09:17:30 GMT 2023
PRIMARY