4-HYDROXYTRAZODONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H22ClN5O2
Molecular Weight	387.863
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C(Cl)C=C(C=C1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2

InChI

InChIKey=FNUZSRSXQFIOPL-UHFFFAOYSA-N

InChI=1S/C19H22ClN5O2/c20-16-14-15(5-6-17(16)26)23-12-10-22(11-13-23)7-3-9-25-19(27)24-8-2-1-4-18(24)21-25/h1-2,4-6,8,14,26H,3,7,9-13H2

HIDE SMILES / InChI

Molecular Formula	C19H22ClN5O2
Molecular Weight	387.863
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 13:59:06 GMT 2023` Edited by `admin` on `Sat Dec 16 13:59:06 GMT 2023`
Record UNII	U3ZBN4W677
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-HYDROXYTRAZODONE

Common Name

English

1,2,4-TRIAZOLO(4,3-A)PYRIDIN-3(2H)-ONE, 2-(3-(4-(3-CHLORO-4-HYDROXYPHENYL)-1-PIPERAZINYL)PROPYL)-

Systematic Name

English

2-(3-(4-(3-CHLORO-4-HYDROXYPHENYL)-1-PIPERAZINYL)PROPYL)-1,2,4-TRIAZOLO(4,3-A)PYRIDIN-3(2H)-ONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

46781917

Created by admin on Sat Dec 16 13:59:06 GMT 2023 , Edited by admin on Sat Dec 16 13:59:06 GMT 2023

PRIMARY

EPA CompTox

DTXSID90675963

Created by admin on Sat Dec 16 13:59:06 GMT 2023 , Edited by admin on Sat Dec 16 13:59:06 GMT 2023

PRIMARY

FDA UNII

U3ZBN4W677

Created by admin on Sat Dec 16 13:59:06 GMT 2023 , Edited by admin on Sat Dec 16 13:59:06 GMT 2023

PRIMARY

CAS

53818-10-3

Created by admin on Sat Dec 16 13:59:06 GMT 2023 , Edited by admin on Sat Dec 16 13:59:06 GMT 2023

PRIMARY

Related Record Type Details


					YBK48BXK30

TRAZODONE

PARENT -> METABOLITE

Comments:

Extensively metabolized from Trazodone in the liver.