BIA 3-465

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H11NO8S
Molecular Weight	353.304
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C(OS(O)(=O)=O)C=C(C=C1[N+]([O-])=O)C(=O)CC2=CC=CC=C2

InChI

InChIKey=LEQKHSCEAPLYJI-UHFFFAOYSA-N

InChI=1S/C14H11NO8S/c16-12(6-9-4-2-1-3-5-9)10-7-11(15(18)19)14(17)13(8-10)23-24(20,21)22/h1-5,7-8,17H,6H2,(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula	C14H11NO8S
Molecular Weight	353.304
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 16:12:03 UTC 2023` Edited by `admin` on `Sat Dec 16 16:12:03 UTC 2023`
Record UNII	OK2K3DL094
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIA 3-465

Code

English

ETHANONE, 1-(4-HYDROXY-3-NITRO-5-(SULFOOXY)PHENYL)-2-PHENYL-

Systematic Name

English

1-(4-HYDROXY-3-NITRO-5-(SULFOOXY)PHENYL)-2-PHENYLETHANONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00786534

Created by admin on Sat Dec 16 16:12:03 UTC 2023 , Edited by admin on Sat Dec 16 16:12:03 UTC 2023

PRIMARY

PUBCHEM

71362935

Created by admin on Sat Dec 16 16:12:03 UTC 2023 , Edited by admin on Sat Dec 16 16:12:03 UTC 2023

PRIMARY

FDA UNII

OK2K3DL094

Created by admin on Sat Dec 16 16:12:03 UTC 2023 , Edited by admin on Sat Dec 16 16:12:03 UTC 2023

PRIMARY

CAS

473790-09-9

Created by admin on Sat Dec 16 16:12:03 UTC 2023 , Edited by admin on Sat Dec 16 16:12:03 UTC 2023

PRIMARY

Related Record Type Details


					NM2KXJ990T

NEBICAPONE

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

PLASMA