Merigolix

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H35F7N4O6
Molecular Weight	752.6751
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCCN[C@@H](CN1C(=O)N(CC2=C(C=CC=C2F)C(F)(F)F)C3=C(C1=O)C4(CCN(CC5=CC=C(O5)C(F)(F)F)CC4)OC3)C6=CC=CC=C6

InChI

InChIKey=LJPSGSMPGVITHK-MHZLTWQESA-N

InChI=1S/C36H35F7N4O6/c37-26-9-4-8-25(35(38,39)40)24(26)19-46-28-21-52-34(13-16-45(17-14-34)18-23-11-12-29(53-23)36(41,42)43)31(28)32(50)47(33(46)51)20-27(22-6-2-1-3-7-22)44-15-5-10-30(48)49/h1-4,6-9,11-12,27,44H,5,10,13-21H2,(H,48,49)/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H35F7N4O6
Molecular Weight	752.6751
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 19:46:16 UTC 2023` Edited by `admin` on `Sat Dec 16 19:46:16 UTC 2023`
Record UNII	RS62JYV9LX
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Merigolix

Official Name

English

4-[[(1R)-2-[1-[[2-Fluoro-6-(trifluoromethyl)phenyl]methyl]-1,2,4,7-tetrahydro-2,4-dioxo-1′-[[5-(trifluoromethyl)-2-furanyl]methyl]spiro[furo[3,4-d]pyrimidine-5(3H),4′-piperidin]-3-yl]-1-phenylethyl]amino]butanoic acid

Systematic Name

English

Butanoic acid, 4-[[(1R)-2-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-1,2,4,7-tetrahydro-2,4-dioxo-1′-[[5-(trifluoromethyl)-2-furanyl]methyl]spiro[furo[3,4-d]pyrimidine-5(3H),4′-piperidin]-3-yl]-1-phenylethyl]amino]-

Systematic Name

English

merigolix [INN]

Common Name

English

4-{[(1R)-2-(1-{[2-fluoro-6- (trifluoromethyl)phenyl]methyl}-2,4-dioxo-1'-{[5- (trifluoromethyl)furan-2-yl]methyl}-1,2,4,7-tetrahydro- 3H-spiro[furo[3,4-d]pyrimidine-5,4'-piperidin]-3-yl)-1- phenylethyl]amino}butanoic acid

Systematic Name

English

Code System Code Type Description

INN

12501