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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H29F5N3O5.Na
Molecular Weight 653.5715
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELAGOLIX SODIUM

SMILES

[Na+].COC1=CC=CC(=C1F)C2=C(C)N(CC3=C(C=CC=C3F)C(F)(F)F)C(=O)N(C[C@H](NCCCC([O-])=O)C4=CC=CC=C4)C2=O

InChI

InChIKey=DQYGXRQUFSRDCH-UQIIZPHYSA-M
InChI=1S/C32H30F5N3O5.Na/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33;/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42);/q;+1/p-1/t25-;/m0./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C32H29F5N3O5
Molecular Weight 630.5818
Charge -1
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 Fri Dec 15 16:31:27 UTC 2023
Edited
by admin
on Fri Dec 15 16:31:27 UTC 2023
Record UNII
5948VUI423
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ELAGOLIX SODIUM
USAN   WHO-DD  
USAN  
Official Name English
ORIAHNN COMPONENT ELAGOLIX SODIUM
Brand Name English
BUTANOIC ACID, 4-(((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)AMINO)-, MONOSODIUM SALT
Common Name English
ELAGOLIX SODIUM COMPONENT OF ORIAHNN
Brand Name English
ELAGOLIX SODIUM [ORANGE BOOK]
Common Name English
SODIUM 4-(((1R)-2-(5-(2-FLUORO-3-METHOXYPHENYL)-3-((2-FLUORO-6- (TRIFLUOROMETHYL)PHENYL)METHYL)-4-METHYL-2,6-DIOXO-3,6-DIHYDROPYRIMIDIN-1(2H)-YL)-1- PHENYLETHYL)AMINO)BUTANOATE
Systematic Name English
ORLISSA
Brand Name English
ELAGOLIX SODIUM SALT [MI]
Common Name English
NBI-56418-NA
Code English
Elagolix sodium [WHO-DD]
Common Name English
ELAGOLIX SODIUM [USAN]
Common Name English
NBI-56418 NA
Code English
Code System Code Type Description
SMS_ID
100000174591
Created by admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
PRIMARY
PUBCHEM
24785956
Created by admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
PRIMARY
CAS
832720-36-2
Created by admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
PRIMARY
FDA UNII
5948VUI423
Created by admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
PRIMARY
RXCUI
2049847
Created by admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
PRIMARY
NCI_THESAURUS
C166831
Created by admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
PRIMARY
DRUG BANK
DBSALT002117
Created by admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
PRIMARY
MERCK INDEX
m4850
Created by admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL1208155
Created by admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
PRIMARY
USAN
TT-68
Created by admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID601003247
Created by admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
PRIMARY
DAILYMED
5948VUI423
Created by admin on Fri Dec 15 16:31:27 UTC 2023 , Edited by admin on Fri Dec 15 16:31:27 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY