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Details

Stereochemistry ACHIRAL
Molecular Formula C19H22BrN5O.ClH
Molecular Weight 452.776
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-DECHLORO-3-BROMO TRAZODONE HYDROCHLORIDE

SMILES

c1ccn2c(c1)nn(CCCN3CCN(CC3)c4cccc(c4)Br)c2=O.Cl

InChI

InChIKey=XGKUASHFDRCBOF-UHFFFAOYSA-N
InChI=1S/C19H22BrN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H22BrN5O
Molecular Weight 416.3151
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 Jun 26 00:13:55 UTC 2021
Edited
by admin
on Sat Jun 26 00:13:55 UTC 2021
Record UNII
8JY7YYB115
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-DECHLORO-3-BROMO TRAZODONE HYDROCHLORIDE
Common Name English
TRAZODONE RELATED COMPOUND D
USP   USP-RS  
Common Name English
TRAZODONE RELATED COMPOUND D RS [USP]
Common Name English
(2-(3-(4-(3-BROMOPHENYL)PIPERAZIN-1-YL)PROPYL)-(1,2,4)TRIAZOLO(4,3-A)PYRIDIN-3(2H)-ONE HYDROCHLORIDE
Systematic Name English
TRAZODONE RELATED COMPOUND D [USP]
Common Name English
1,2,4-TRIAZOLO(4,3-A)PYRIDIN-3(2H)-ONE, 2-(3-(4-(3-BROMOPHENYL)-1-PIPERAZINYL)PROPYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
TRAZODONE RELATED COMPOUND D [USP-RS]
Common Name English
Code System Code Type Description
USP_CATALOG
1673544
Created by admin on Sat Jun 26 00:13:55 UTC 2021 , Edited by admin on Sat Jun 26 00:13:55 UTC 2021
PRIMARY USP-RS
CAS
1263278-80-3
Created by admin on Sat Jun 26 00:13:55 UTC 2021 , Edited by admin on Sat Jun 26 00:13:55 UTC 2021
PRIMARY
EPA CompTox
1263278-80-3
Created by admin on Sat Jun 26 00:13:55 UTC 2021 , Edited by admin on Sat Jun 26 00:13:55 UTC 2021
PRIMARY
FDA UNII
8JY7YYB115
Created by admin on Sat Jun 26 00:13:55 UTC 2021 , Edited by admin on Sat Jun 26 00:13:55 UTC 2021
PRIMARY
PUBCHEM
71315237
Created by admin on Sat Jun 26 00:13:55 UTC 2021 , Edited by admin on Sat Jun 26 00:13:55 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP