LINZAGOLIX CHOLINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H14F3N2O7S.C5H14NO
Molecular Weight	611.587
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[N+](C)(C)CCO.COC1=C(OCC2=C(OC)C=CC(F)=C2F)C=C(N3C(=O)NC4=CSC(C([O-])=O)=C4C3=O)C(F)=C1

InChI

InChIKey=IAIVRTFCYOGNBW-UHFFFAOYSA-M

InChI=1S/C22H15F3N2O7S.C5H14NO/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30;1-6(2,3)4-5-7/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30);7H,4-5H2,1-3H3/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C22H15F3N2O7S
Molecular Weight	508.424
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C5H13NO
Molecular Weight	103.1628
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:48:21 GMT 2023` Edited by `admin` on `Sat Dec 16 11:48:21 GMT 2023`
Record UNII	VHS6SC660Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LINZAGOLIX CHOLINE

Official Name

English

Linzagolix choline [WHO-DD]

Common Name

English

ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, 3-(5-((2,3-DIFLUORO-6-METHOXYPHENYL)METHOXY)-2-FLUORO-4-METHOXYPHENYL)-1,2,3,4-TETRAHYDRO-2,4-DIOXOTHIENO(3,4-D)PYRIMIDINE-5-CARBOXYLATE (1:1)

Systematic Name

English

LINZAGOLIX CHOLINE [USAN]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C174925