PIRAGLIATIN

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H20ClN3O4S
Molecular Weight	421.898
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PIRAGLIATIN

Structure Search

SMILES

[H][C@]3(C[C@@H](C(=O)NC1=CN=CC=N1)C2=CC=C(C(Cl)=C2)S(C)(=O)=O)CCC(=O)C3

InChI

InChIKey=XEANIURBPHCHMG-SWLSCSKDSA-N

InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)/t12-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H20ClN3O4S
Molecular Weight	421.898
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:02:08 UTC 2023` Edited by `admin` on `Fri Dec 15 16:02:08 UTC 2023`
Record UNII	BM1HR7IP1L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PIRAGLIATIN

Official Name

English

Piragliatin [WHO-DD]

Common Name

English

RO-4389620

Code

English

(2R)-2-[3-Chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-pyrazinylpropanamide

Systematic Name

English

piragliatin [INN]

Common Name

English

RO-4389620-R1440

Code

English

RO4389620-R1440

Code

English

PIRAGLIATIN [USAN]

Common Name

English

R04389620\

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29711

Created by admin on Fri Dec 15 16:02:08 UTC 2023 , Edited by admin on Fri Dec 15 16:02:08 UTC 2023

Code System Code Type Description

INN

8839

Created by admin on Fri Dec 15 16:02:08 UTC 2023 , Edited by admin on Fri Dec 15 16:02:08 UTC 2023

PRIMARY

NCI_THESAURUS

C77587

Created by admin on Fri Dec 15 16:02:08 UTC 2023 , Edited by admin on Fri Dec 15 16:02:08 UTC 2023

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EVMPD

SUB122949

Created by admin on Fri Dec 15 16:02:08 UTC 2023 , Edited by admin on Fri Dec 15 16:02:08 UTC 2023

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FDA UNII

BM1HR7IP1L

Created by admin on Fri Dec 15 16:02:08 UTC 2023 , Edited by admin on Fri Dec 15 16:02:08 UTC 2023

PRIMARY

MESH

C553963

Created by admin on Fri Dec 15 16:02:08 UTC 2023 , Edited by admin on Fri Dec 15 16:02:08 UTC 2023

PRIMARY

ChEMBL

CHEMBL1783734

Created by admin on Fri Dec 15 16:02:08 UTC 2023 , Edited by admin on Fri Dec 15 16:02:08 UTC 2023

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SMS_ID

100000145109

Created by admin on Fri Dec 15 16:02:08 UTC 2023 , Edited by admin on Fri Dec 15 16:02:08 UTC 2023

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EPA CompTox

DTXSID3048520

Created by admin on Fri Dec 15 16:02:08 UTC 2023 , Edited by admin on Fri Dec 15 16:02:08 UTC 2023

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USAN

TT-89

Created by admin on Fri Dec 15 16:02:08 UTC 2023 , Edited by admin on Fri Dec 15 16:02:08 UTC 2023

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CAS

625114-41-2

Created by admin on Fri Dec 15 16:02:08 UTC 2023 , Edited by admin on Fri Dec 15 16:02:08 UTC 2023

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PUBCHEM

10432339

Created by admin on Fri Dec 15 16:02:08 UTC 2023 , Edited by admin on Fri Dec 15 16:02:08 UTC 2023

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