ORANTINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H18N2O3
Molecular Weight	310.3471
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(CCC(O)=O)C(C)=C(N1)\C=C2/C(=O)NC3=C2C=CC=C3

InChI

InChIKey=NHFDRBXTEDBWCZ-ZROIWOOFSA-N

InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ORANTINIB

Official Name

English

1H-PYRROLE-3-PROPANOIC ACID, 5-((1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-

Common Name

English

NSC-702827

Code

English

TSU-68

Code

English

5-((1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-1H-PYRROLE-3-PROPANOIC ACID

Systematic Name

English

3-(2,4-DIMETHYL-5-(2-OXO-1,2-DIHYDROINDOL-3-YLIDENEMETHYL)-1H-PYRROL-3-YL)PROPIONIC ACID

Systematic Name

English

Orantinib [WHO-DD]

Common Name

English

3-(2,4-DIMETHYL-5-(((3Z)-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL)-1H-PYRROL-3-YL)PROPANOIC ACID

Systematic Name

English

3-(2,4-DIMETHYL-5-((2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL)-1H-PYRROL-3-YL)PROPIONIC ACID

Systematic Name

English

orantinib [INN]

Common Name

English

3-(4-(2-CARBOXYETHYL)-3,5-DIMETHYLPYRROL-2-METHYLIDENYL)-2-INDOLINONE

Common Name

English

SU-6668

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1967

Created by admin on Fri Dec 15 16:37:20 UTC 2023 , Edited by admin on Fri Dec 15 16:37:20 UTC 2023

Code System Code Type Description

PUBCHEM

5329099

Created by admin on Fri Dec 15 16:37:20 UTC 2023 , Edited by admin on Fri Dec 15 16:37:20 UTC 2023

PRIMARY

ChEMBL

CHEMBL274654

Created by admin on Fri Dec 15 16:37:19 UTC 2023 , Edited by admin on Fri Dec 15 16:37:19 UTC 2023

PRIMARY

CAS

252916-29-3

Created by admin on Fri Dec 15 16:37:19 UTC 2023 , Edited by admin on Fri Dec 15 16:37:19 UTC 2023

PRIMARY

EVMPD

SUB74858

Created by admin on Fri Dec 15 16:37:19 UTC 2023 , Edited by admin on Fri Dec 15 16:37:19 UTC 2023

PRIMARY

NSC

702827

Created by admin on Fri Dec 15 16:37:20 UTC 2023 , Edited by admin on Fri Dec 15 16:37:20 UTC 2023

PRIMARY

CHEBI

91088

Created by admin on Fri Dec 15 16:37:19 UTC 2023 , Edited by admin on Fri Dec 15 16:37:19 UTC 2023

PRIMARY

EPA CompTox

DTXSID5043716

Created by admin on Fri Dec 15 16:37:19 UTC 2023 , Edited by admin on Fri Dec 15 16:37:19 UTC 2023

PRIMARY

MESH

C412603

Created by admin on Fri Dec 15 16:37:20 UTC 2023 , Edited by admin on Fri Dec 15 16:37:20 UTC 2023

PRIMARY

NCI_THESAURUS

C1884

Created by admin on Fri Dec 15 16:37:20 UTC 2023 , Edited by admin on Fri Dec 15 16:37:20 UTC 2023

PRIMARY

DRUG BANK

DB12072

Created by admin on Fri Dec 15 16:37:19 UTC 2023 , Edited by admin on Fri Dec 15 16:37:19 UTC 2023

PRIMARY

INN

9267

Created by admin on Fri Dec 15 16:37:19 UTC 2023 , Edited by admin on Fri Dec 15 16:37:19 UTC 2023

PRIMARY

FDA UNII

9RL37ZZ665

Created by admin on Fri Dec 15 16:37:19 UTC 2023 , Edited by admin on Fri Dec 15 16:37:19 UTC 2023

PRIMARY

SMS_ID

100000136798

Created by admin on Fri Dec 15 16:37:20 UTC 2023 , Edited by admin on Fri Dec 15 16:37:20 UTC 2023

PRIMARY

ACTIVE MOIETY


					9RL37ZZ665

ORANTINIB

METABOLITE (PARENT)


					GMQ6M46MXD

6-HYDROXY ORANTINIB

METABOLITE (PARENT)


					3XT5L8JVX2

(2S,3S,4S,5R,6S)-6-(3-(2,4-DIMETHYL-5-((Z)-(2-OXOINDOLIN-3-YLIDENE)METHYL)-1H-PYRROL-3-YL)PROPANOYLOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE (PARENT)


					T2AT2JE6GJ

7-HYDROXY ORANTINIB

METABOLITE (PARENT)


					6PSK8D7DFR

5-HYDROXY ORANTINIB