BOF-4272

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H13N4O3S.Na
Molecular Weight	388.376
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].COC1=C(C=CC(=C1)C2=C3[N-]C=NC(=O)N3N=C2)[S+]([O-])C4=CC=CC=C4

InChI

InChIKey=FRSOALVXQKHLLF-UHFFFAOYSA-M

InChI=1S/C18H14N4O3S.Na/c1-25-15-9-12(14-10-21-22-17(14)19-11-20-18(22)23)7-8-16(15)26(24)13-5-3-2-4-6-13;/h2-11H,1H3,(H,19,20,21,23);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C18H14N4O3S
Molecular Weight	366.394
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:21:56 GMT 2023` Edited by `admin` on `Fri Dec 15 19:21:56 GMT 2023`
Record UNII	2Q33D25ZXE
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BOF-4272

Common Name

English

PYRAZOLO(1,5-A)-1,3,5-TRIAZIN-4(3H)-ONE, 8-(3-METHOXY-4-(PHENYLSULFINYL)PHENYL)-, SODIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

CAS

142181-44-0

Created by admin on Fri Dec 15 19:21:56 GMT 2023 , Edited by admin on Fri Dec 15 19:21:56 GMT 2023

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PUBCHEM

23698229

Created by admin on Fri Dec 15 19:21:56 GMT 2023 , Edited by admin on Fri Dec 15 19:21:56 GMT 2023

PRIMARY

EPA CompTox

DTXSID30931378

Created by admin on Fri Dec 15 19:21:56 GMT 2023 , Edited by admin on Fri Dec 15 19:21:56 GMT 2023

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FDA UNII

2Q33D25ZXE

Created by admin on Fri Dec 15 19:21:56 GMT 2023 , Edited by admin on Fri Dec 15 19:21:56 GMT 2023

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Related Record Type Details


					BW2UI9E52F

8-(3-METHOXY-4-(PHENYLSULFINYL)PHENYL)PYRAZOLO(1,5-A)-1,3,5-TRIAZIN-4(3H)-ONE

PARENT -> SALT/SOLVATE