Atumelnant maleate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H42F3N5O3.C4H4O4
Molecular Weight	729.7856
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CCOC1=C(C=CC=C1)C2=CC=C(N3CCN(C[C@H]3CC)C(=O)C4(CCC4)C(F)(F)F)C(=N2)C(=O)N[C@@H]5CN6CCC5CC6

InChI

InChIKey=HPALYDBXMGJENX-WNAOAIPDSA-N

InChI=1S/C33H42F3N5O3.C4H4O4/c1-3-23-20-40(31(43)32(14-7-15-32)33(34,35)36)18-19-41(23)27-11-10-25(24-8-5-6-9-28(24)44-4-2)37-29(27)30(42)38-26-21-39-16-12-22(26)13-17-39;5-3(6)1-2-4(7)8/h5-6,8-11,22-23,26H,3-4,7,12-21H2,1-2H3,(H,38,42);1-2H,(H,5,6)(H,7,8)/b;2-1-/t23-,26-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C33H42F3N5O3
Molecular Weight	613.7135
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 `Wed Apr 02 08:58:46 GMT 2025` Edited by `admin` on `Wed Apr 02 08:58:46 GMT 2025`
Record UNII	CHS4F8600I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATUMELANT MALEATE [USAN]

Preferred Name

English

Atumelnant maleate

Common Name

English

2-Pyridinecarboxamide, N-(3S)-1-azabicyclo[2.2.2]oct-3-yl-6-(2-ethoxyphenyl)-3-[(2R)-2-ethyl-4-[[1-(trifluoromethyl)cyclobutyl]carbonyl]-1-piperazinyl]-, (2Z)-2-butenedioate (1:1)

Systematic Name

English

Code System Code Type Description

SMS_ID

300000050540