REGORAFENIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H15ClF4N4O3.H2O
Molecular Weight	500.831
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of REGORAFENIB

Structure Search

SMILES

O.CNC(=O)C1=NC=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=C1

InChI

InChIKey=ZOPOQLDXFHBOIH-UHFFFAOYSA-N

InChI=1S/C21H15ClF4N4O3.H2O/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26;/h2-10H,1H3,(H,27,31)(H2,29,30,32);1H2

HIDE SMILES / InChI

Molecular Formula	C21H15ClF4N4O3
Molecular Weight	482.815
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
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 05:14:24 UTC 2023` Edited by `admin` on `Sat Dec 16 05:14:24 UTC 2023`
Record UNII	MGN125FS9D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

REGORAFENIB MONOHYDRATE

Preferred Name

English

REGORAFENIB

Official Name

English

REGORAFENIB MONOHYDRATE [EP MONOGRAPH]

Common Name

English

BAY-73-4506 MONOHYDRATE

Code

English

2-PYRIDINECARBOXAMIDE, 4-(4-((((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)AMINO)CARBONYL)AMINO)-3-FLUOROPHENOXY)-N-METHYL-, HYDRATE (1:1)

Systematic Name

English

REGORAFENIB [USAN]

Common Name

English

REGORAFENIB [USP-RS]

Common Name

English

REGORAFENIB HYDRATE [JAN]

Common Name

English

REGORAFENIB [ORANGE BOOK]

Common Name

English

REGORAFENIB [USP MONOGRAPH]

Common Name

English

BAY-734506 MONOHYDRATE

Code

English

STIVARGA

Brand Name

English

REGORAFENIB HYDRATE

Common Name

English

Code System Code Type Description

PUBCHEM

24768591

Created by admin on Sat Dec 16 05:14:24 UTC 2023 , Edited by admin on Sat Dec 16 05:14:24 UTC 2023

PRIMARY

SMS_ID

300000039151

Created by admin on Sat Dec 16 05:14:24 UTC 2023 , Edited by admin on Sat Dec 16 05:14:24 UTC 2023

PRIMARY

RXCUI

1371319

Created by admin on Sat Dec 16 05:14:24 UTC 2023 , Edited by admin on Sat Dec 16 05:14:24 UTC 2023

PRIMARY

RxNorm

CAS

1019206-88-2

Created by admin on Sat Dec 16 05:14:24 UTC 2023 , Edited by admin on Sat Dec 16 05:14:24 UTC 2023

PRIMARY

EPA CompTox

DTXSID70144349

Created by admin on Sat Dec 16 05:14:24 UTC 2023 , Edited by admin on Sat Dec 16 05:14:24 UTC 2023

PRIMARY

CHEBI

68646

Created by admin on Sat Dec 16 05:14:24 UTC 2023 , Edited by admin on Sat Dec 16 05:14:24 UTC 2023

PRIMARY

FDA UNII

MGN125FS9D

Created by admin on Sat Dec 16 05:14:24 UTC 2023 , Edited by admin on Sat Dec 16 05:14:24 UTC 2023

PRIMARY

DRUG BANK

DBSALT001750

Created by admin on Sat Dec 16 05:14:24 UTC 2023 , Edited by admin on Sat Dec 16 05:14:24 UTC 2023

PRIMARY

USAN

AB-31

Created by admin on Sat Dec 16 05:14:24 UTC 2023 , Edited by admin on Sat Dec 16 05:14:24 UTC 2023

PRIMARY

RS_ITEM_NUM

1600201

Created by admin on Sat Dec 16 05:14:24 UTC 2023 , Edited by admin on Sat Dec 16 05:14:24 UTC 2023

PRIMARY

DAILYMED

MGN125FS9D

Created by admin on Sat Dec 16 05:14:24 UTC 2023 , Edited by admin on Sat Dec 16 05:14:24 UTC 2023

PRIMARY

NCI_THESAURUS

C184955

Created by admin on Sat Dec 16 05:14:24 UTC 2023 , Edited by admin on Sat Dec 16 05:14:24 UTC 2023

PRIMARY

Related Record Type Details


					24T2A1DOYB

REGORAFENIB ANHYDROUS

ANHYDROUS->SOLVATE


					24T2A1DOYB

REGORAFENIB ANHYDROUS

PARENT -> SALT/SOLVATE

Amount:

Related Record Type Details


					YX0I2UK6ON

4-(4-ACETAMIDO-3-FLUOROPHENOXY)-N-METHYLPYRIDINE-2-CARBOXAMIDE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					BV7WJE5JNH

4,4'-(((CARBONYLBIS(AZANEDIYL))BIS(3-FLUORO-4,1-PHENYLENE))BIS(OXY))BIS(N-METHYLPICOLINAMIDE)

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					GY0A8K2GHF

4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)-3-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)-3-FLUOROPHENOXY)PHENOXY)-N-METHYLPICOLINAMIDE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					RV6UQ6V2Q5

4-(3-FLUORO-4-((2-(METHYLCARBAMOYL)PYRIDIN-4-YL)AMINO)PHENOXY)-N-METHYLPYRIDINE-2-CARBOXAMIDE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

Related Record Type Details


					24T2A1DOYB

REGORAFENIB ANHYDROUS

ACTIVE MOIETY

Amount: