ERTIPROTAFIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H27BrO3S
Molecular Weight	559.513
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ERTIPROTAFIB

Structure Search

SMILES

CC1=C(C)C2=C(S1)C(Br)=C3C=CC=CC3=C2C4=CC(C)=C(O[C@H](CC5=CC=CC=C5)C(O)=O)C(C)=C4

InChI

InChIKey=FONCZICQWCUXEB-RUZDIDTESA-N

InChI=1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H27BrO3S
Molecular Weight	559.513
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:50:49 UTC 2023` Edited by `admin` on `Sat Dec 16 16:50:49 UTC 2023`
Record UNII	5TPM2EB426
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERTIPROTAFIB

Official Name

English

(2R)-2-[4-(9-Bromo-2,3-dimethylnaphtho[2,3-b]thiophen-4-yl)-2,6-dimethylphenoxy]-3-phenylpropionic acid

Systematic Name

English

PTP-112

Code

English

ERTIPROTAFIB [USAN]

Common Name

English

ertiprotafib [INN]

Common Name

English

BENZENEPROPANOIC ACID, .ALPHA.-(4-(9-BROMO-2,3-DIMETHYLNAPHTHO(2,3-B)THIEN-4-YL)-2,6-DIMETHYLPHENOXY)-, (.ALPHA.R)-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29711

Created by admin on Sat Dec 16 16:50:49 UTC 2023 , Edited by admin on Sat Dec 16 16:50:49 UTC 2023

Code System Code Type Description

PUBCHEM

157049

Created by admin on Sat Dec 16 16:50:49 UTC 2023 , Edited by admin on Sat Dec 16 16:50:49 UTC 2023

PRIMARY

ChEMBL

CHEMBL184041

Created by admin on Sat Dec 16 16:50:49 UTC 2023 , Edited by admin on Sat Dec 16 16:50:49 UTC 2023

PRIMARY

SMS_ID

100000127790

Created by admin on Sat Dec 16 16:50:49 UTC 2023 , Edited by admin on Sat Dec 16 16:50:49 UTC 2023

PRIMARY

CAS

251303-04-5

Created by admin on Sat Dec 16 16:50:49 UTC 2023 , Edited by admin on Sat Dec 16 16:50:49 UTC 2023

PRIMARY

EPA CompTox

DTXSID30179814

Created by admin on Sat Dec 16 16:50:49 UTC 2023 , Edited by admin on Sat Dec 16 16:50:49 UTC 2023

PRIMARY

USAN

NN-52

Created by admin on Sat Dec 16 16:50:49 UTC 2023 , Edited by admin on Sat Dec 16 16:50:49 UTC 2023

PRIMARY

DRUG BANK

DB06521

Created by admin on Sat Dec 16 16:50:49 UTC 2023 , Edited by admin on Sat Dec 16 16:50:49 UTC 2023

PRIMARY

INN

8226

Created by admin on Sat Dec 16 16:50:49 UTC 2023 , Edited by admin on Sat Dec 16 16:50:49 UTC 2023

PRIMARY

MESH

C498182

Created by admin on Sat Dec 16 16:50:49 UTC 2023 , Edited by admin on Sat Dec 16 16:50:49 UTC 2023

PRIMARY

FDA UNII

5TPM2EB426

Created by admin on Sat Dec 16 16:50:49 UTC 2023 , Edited by admin on Sat Dec 16 16:50:49 UTC 2023

PRIMARY

EVMPD

SUB33914

Created by admin on Sat Dec 16 16:50:49 UTC 2023 , Edited by admin on Sat Dec 16 16:50:49 UTC 2023

PRIMARY

NCI_THESAURUS

C81694

Created by admin on Sat Dec 16 16:50:49 UTC 2023 , Edited by admin on Sat Dec 16 16:50:49 UTC 2023

PRIMARY

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