Epsametostat, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H36F3N7O3
Molecular Weight	611.6578
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(CNC(=O)C2=CC3=C(C=CN3C([C@H](C)N4CCN(CC(F)(F)F)CC4)=C2C)C5=CC=C(C)N=N5)C(=O)NC(C)=C1

InChI

InChIKey=BIABSPVTTUDBEO-NRFANRHFSA-N

InChI=1S/C31H36F3N7O3/c1-18-6-7-25(38-37-18)22-8-9-41-26(22)15-23(29(42)35-16-24-27(44-5)14-19(2)36-30(24)43)20(3)28(41)21(4)40-12-10-39(11-13-40)17-31(32,33)34/h6-9,14-15,21H,10-13,16-17H2,1-5H3,(H,35,42)(H,36,43)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H36F3N7O3
Molecular Weight	611.6578
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 `Wed Apr 02 05:28:46 GMT 2025` Edited by `admin` on `Wed Apr 02 05:28:46 GMT 2025`
Record UNII	JY2ER8N13N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-HH-2853

Preferred Name

English

Epsametostat, (S)-

Common Name

English

N-[(1,2-Dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl]-6-methyl-1-(6-methyl-3-pyridazinyl)-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]ethyl]-7-indolizinecarboxamide

Systematic Name

English

7-Indolizinecarboxamide, N-[(1,2-dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl]-6-methyl-1-(6-methyl-3-pyridazinyl)-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]ethyl]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

139311483

Created by admin on Wed Apr 02 05:28:46 GMT 2025 , Edited by admin on Wed Apr 02 05:28:46 GMT 2025

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CAS

2202678-05-3

Created by admin on Wed Apr 02 05:28:46 GMT 2025 , Edited by admin on Wed Apr 02 05:28:46 GMT 2025

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FDA UNII

JY2ER8N13N

Created by admin on Wed Apr 02 05:28:46 GMT 2025 , Edited by admin on Wed Apr 02 05:28:46 GMT 2025

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Related Record Type Details


					JY2ER8N13N

Epsametostat, (S)-

ACTIVE MOIETY

Amount: