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Details

Stereochemistry ACHIRAL
Molecular Formula C23H21FN5O4S.C5H14NO
Molecular Weight 586.678
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of R-348 CHOLINE

SMILES

C[N+](C)(C)CCO.CCC(=O)[N-]S(=O)(=O)C1=CC(NC2=NC(NC3=CC=C(OCC#C)C=C3)=C(F)C=N2)=CC=C1C

InChI

InChIKey=LZMBOMHVTNXZSS-UHFFFAOYSA-M
InChI=1S/C23H22FN5O4S.C5H14NO/c1-4-12-33-18-10-8-16(9-11-18)26-22-19(24)14-25-23(28-22)27-17-7-6-15(3)20(13-17)34(31,32)29-21(30)5-2;1-6(2,3)4-5-7/h1,6-11,13-14H,5,12H2,2-3H3,(H3,25,26,27,28,29,30);7H,4-5H2,1-3H3/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
R-348 CHOLINE
Common Name English
R-348 CHOLINE SALT
Preferred Name English
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, SALT WITH N-((5-((5-FLUORO-4-((4-(2-PROPYN-1-YLOXY)PHENYL)AMINO)-2-PYRIMIDINYL)AMINO)-2-METHYLPHENYL)SULFONYL)PROPANAMIDE (1:1)
Systematic Name English
N-(5-((5-FLUORO-4-(4-PROP-2-YNOXYANILINO)PYRIMIDIN-2-YL)AMINO)-2-METHYL-PHENYL)SULFONYLPROPANAMIDE; 2-(TRIMETHYL-$L^5-AZANYL)ETHANOL
Systematic Name English
R-932348 CHOLINE SALT
Common Name English
Code System Code Type Description
PUBCHEM
121596578
Created by admin on Tue Apr 01 18:07:55 GMT 2025 , Edited by admin on Tue Apr 01 18:07:55 GMT 2025
PRIMARY
CAS
1620142-65-5
Created by admin on Tue Apr 01 18:07:55 GMT 2025 , Edited by admin on Tue Apr 01 18:07:55 GMT 2025
PRIMARY
FDA UNII
02STA794M3
Created by admin on Tue Apr 01 18:07:55 GMT 2025 , Edited by admin on Tue Apr 01 18:07:55 GMT 2025
PRIMARY