(R) -Elagolix 100mg

CAT: 0628-A21184-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A21184-100Size:100 mg

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CAS Number

834153-87-6

Chemical Information

Elagolix

Elagolix is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.

CAS Number	834153-87-6
PubChem CID	11250647
IUPAC Name	4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
Molecular Formula	C32H30F5N3O5
Molecular Weight	631.6
XLogP	2.6
Topological Polar Surface Area	99.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	12
Heavy Atom Count	45
Formal Charge	0
Complexity	1080

SMILES

CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C[C@@H](C3=CC=CC=C3)NCCCC(=O)O)C4=C(C(=CC=C4)OC)F

InChI

InChI=1S/C32H30F5N3O5/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)/t25-/m0/s1

InChIKey

HEAUOKZIVMZVQL-VWLOTQADSA-N

Chemical Structure

2D Structure

CAS: 834153-87-6

CID: 11250647

Formula: C32H30F5N3O5

MW: 631.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	631.6
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	12
Exact Mass	631.21056188
Monoisotopic Mass	631.21056188
Topological Polar Surface Area	99.2 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1080
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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A21184-2	(R) -Elagolix 2mg
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A21184-10mM-D	(R) -Elagolix 10mM * 1mL in DMSO
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Alternative Products

Catalog	Name
GTR19274169-01	Elagolix
RM-E120145-01	Elagolix Impurity 45 (S-Elagolix)
CS-O-41110	Elagolix D12
CS-O-41109	Elagolix D9
T5031-01	Elagolix sodium
RM-E120214-01	Elagolix-D6
BUP09633-01	(R) -Elagolix
MBS3845615-01	(R)-Elagolix

(R) -Elagolix 100mg

Chemical Information

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