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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H32F5N3O5
Molecular Weight 645.6163
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Boc Desbutyrate Elagolix

SMILES

COC1=CC=CC(=C1F)C2=C(C)N(CC3=C(C=CC=C3F)C(F)(F)F)C(=O)N(C[C@H](NC(=O)OC(C)(C)C)C4=CC=CC=C4)C2=O

InChI

InChIKey=UOUIRPGFUIEVPG-VWLOTQADSA-N
InChI=1S/C33H32F5N3O5/c1-19-27(21-13-9-16-26(45-5)28(21)35)29(42)41(18-25(20-11-7-6-8-12-20)39-30(43)46-32(2,3)4)31(44)40(19)17-22-23(33(36,37)38)14-10-15-24(22)34/h6-16,25H,17-18H2,1-5H3,(H,39,43)/t25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-Boc Desbutyrate Elagolix
Common Name English
1,1-Dimethylethyl N-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]carbamate
Systematic Name English
Carbamic acid, N-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl ester
Systematic Name English
Carbamic acid, [(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl ester
Systematic Name English
3-[(R)-2-(tert-Butoxycarbonyl)amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-6-trifluoromethylbenzyl)-6-methyl-1H-pyrimidine-2,4-dione
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80109887
Created by admin on Sat Dec 16 19:14:56 GMT 2023 , Edited by admin on Sat Dec 16 19:14:56 GMT 2023
PRIMARY
PUBCHEM
25157236
Created by admin on Sat Dec 16 19:14:56 GMT 2023 , Edited by admin on Sat Dec 16 19:14:56 GMT 2023
PRIMARY
FDA UNII
A9HP97C98Y
Created by admin on Sat Dec 16 19:14:56 GMT 2023 , Edited by admin on Sat Dec 16 19:14:56 GMT 2023
PRIMARY
CAS
830346-51-5
Created by admin on Sat Dec 16 19:14:56 GMT 2023 , Edited by admin on Sat Dec 16 19:14:56 GMT 2023
PRIMARY