Emestedastat

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H19N5O2S
Molecular Weight	381.451
Optical Activity	NONE
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@]1(C[C@@H]2CC[C@H](C1)N2C(=O)C3=CSC(=C3)C4=CNN=C4)C5=NC=CC=N5

InChI

InChIKey=MMZFGTAMARVHAF-QWHZDKJVSA-N

InChI=1S/C19H19N5O2S/c25-17(12-6-16(27-11-12)13-9-22-23-10-13)24-14-2-3-15(24)8-19(26,7-14)18-20-4-1-5-21-18/h1,4-6,9-11,14-15,26H,2-3,7-8H2,(H,22,23)/t14-,15+,19+

HIDE SMILES / InChI

Molecular Formula	C19H19N5O2S
Molecular Weight	381.451
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:13:26 GMT 2025` Edited by `admin` on `Mon Mar 31 23:13:26 GMT 2025`
Record UNII	106ELK29GH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Emestedastat

Official Name

English

Methanone, [(3-endo)-3-hydroxy-3-(2-pyrimidinyl)-8-azabicyclo[3.2.1]oct-8-yl][5-(1H-pyrazol-4-yl)-3-thienyl]-

Preferred Name

English

UE2343

Code

English

[(3-endo)-3-Hydroxy-3-(2-pyrimidinyl)-8-azabicyclo[3.2.1]oct-8-yl][5-(1H-pyrazol-4-yl)-3-thienyl]methanone

Systematic Name

English

UE-2343

Code

English

emestedastat [INN]

Common Name

English

XANAMEM

Brand Name

English

Code System Code Type Description

CAS

1346013-80-6