VPO-227

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H18BrN3O6
Molecular Weight	548.342
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C2=C3C(OC4=C(C=C(C=C4)C(O)=O)N3C(=C2C(=O)N(C)C1=O)C5=CC=CC=C5)C6=CC=C(Br)O6

InChI

InChIKey=GNHIGSRGYXEQEP-UHFFFAOYSA-N

InChI=1S/C26H18BrN3O6/c1-28-21-19(24(31)29(2)26(28)34)20(13-6-4-3-5-7-13)30-15-12-14(25(32)33)8-9-16(15)36-23(22(21)30)17-10-11-18(27)35-17/h3-12,23H,1-2H3,(H,32,33)

HIDE SMILES / InChI

Molecular Formula	C26H18BrN3O6
Molecular Weight	548.342
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:14:19 UTC 2023` Edited by `admin` on `Sat Dec 16 19:14:19 UTC 2023`
Record UNII	T5WV2JH7PN
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VPO-227

Code

English

BPO-27 racemate

Code

English

6-(5-Bromo-2-furanyl)-7,8,9,10-tetrahydro-7,9-dimethyl-8,10-dioxo-11-phenyl-6H-pyrimido[4′,5′:3,4]pyrrolo[2,1-c][1,4]benzoxazine-2-carboxylic acid

Systematic Name

English

(+-)-9-(5-bromofuran-2-yl)-12,14-dimethyl-13,15-dioxo-17-phenyl-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-4-carboxylic acid

Systematic Name

English

6H-Pyrimido[4′,5′:3,4]pyrrolo[2,1-c][1,4]benzoxazine-2-carboxylic acid, 6-(5-bromo-2-furanyl)-7,8,9,10-tetrahydro-7,9-dimethyl-8,10-dioxo-11-phenyl-

Systematic Name

English

BPO-27

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

906322

Created by admin on Sat Dec 16 19:14:20 UTC 2023 , Edited by admin on Sat Dec 16 19:14:20 UTC 2023

Code System Code Type Description

FDA UNII

T5WV2JH7PN

Created by admin on Sat Dec 16 19:14:20 UTC 2023 , Edited by admin on Sat Dec 16 19:14:20 UTC 2023

PRIMARY

CAS

1314873-02-3

Created by admin on Sat Dec 16 19:14:20 UTC 2023 , Edited by admin on Sat Dec 16 19:14:20 UTC 2023

PRIMARY

PUBCHEM

53387352

Created by admin on Sat Dec 16 19:14:20 UTC 2023 , Edited by admin on Sat Dec 16 19:14:20 UTC 2023

PRIMARY

Related Record Type Details


					PW7453NX3R

CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

TARGET -> INHIBITOR

Qualification:

IC50

Amount:

Related Record Type Details


					T5WV2JH7PN

VPO-227

ACTIVE MOIETY

Amount: