N-Boc Desbutyrate Elagolix

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 Search

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

Molecular Formula	C33H32F5N3O5
Molecular Weight	645.6163
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 19:14:56 GMT 2023` Edited by `admin` on `Sat Dec 16 19:14:56 GMT 2023`
Record UNII	A9HP97C98Y
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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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

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