Opigolix

CAT: 0931-T17301-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T17301-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

912587-25-8

Target

GNRH Receptor

Related Pathways

GPCR/G Protein

Purity

0.9954

Bioactivity

Opigolix, a Gonadotropin-releasing hormone receptor antagonist, treats hormone-dependent conditions by inhibiting the actions of gonadotropin-releasing hormone (GnRH) .

Smiles

C(C(=O)C1=CC(S(NC([C@@H](C)O)=N)(=O)=O)=C(F)C=C1)(C(=O)C2=C(F)C=CC(F)=C2)=C3NC=4C(N3)=CC=CC4

Molecular Formula

C25H19F3N4O5S

Molecular Weight

544.5

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Opigolix

See also: Opigolix (annotation moved to).

CAS Number	912587-25-8
PubChem CID	135565248
IUPAC Name	(2R)-N'-[5-[(Z)-2-(1H-benzimidazol-2-yl)-3-(2,5-difluorophenyl)-1-hydroxy-3-oxoprop-1-enyl]-2-fluorophenyl]sulfonyl-2-hydroxypropanimidamide
Molecular Formula	C25H19F3N4O5S
Molecular Weight	544.5
XLogP	3.6
Topological Polar Surface Area	167
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Heavy Atom Count	38
Formal Charge	0
Complexity	1050

SMILES

C[C@H](/C(=N/S(=O)(=O)C1=C(C=CC(=C1)/C(=C(\C2=NC3=CC=CC=C3N2)/C(=O)C4=C(C=CC(=C4)F)F)/O)F)/N)O

InChI

InChI=1S/C25H19F3N4O5S/c1-12(33)24(29)32-38(36,37)20-10-13(6-8-17(20)28)22(34)21(23(35)15-11-14(26)7-9-16(15)27)25-30-18-4-2-3-5-19(18)31-25/h2-12,33-34H,1H3,(H2,29,32)(H,30,31)/b22-21+/t12-/m1/s1

InChIKey

QLLWADSMMMNRDJ-AFRFTAIISA-N

Chemical Structure

2D Structure

CAS: 912587-25-8

CID: 135565248

Formula: C25H19F3N4O5S

MW: 544.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	544.5
XLogP3	3.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	544.10282538
Monoisotopic Mass	544.10282538
Topological Polar Surface Area	167 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	1050
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19202889-01	Opigolix

Opigolix

Chemical Information

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