U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H21F2N5O4S.CH4O3S
Molecular Weight 537.558
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of R-547 MESYLATE

SMILES

CS(O)(=O)=O.COC1=CC=C(F)C(F)=C1C(=O)C2=CN=C(NC3CCN(CC3)S(C)(=O)=O)N=C2N

InChI

InChIKey=BUYYGASGVDVCPU-UHFFFAOYSA-N
InChI=1S/C18H21F2N5O4S.CH4O3S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28;1-5(2,3)4/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24);1H3,(H,2,3,4)

HIDE SMILES / InChI

Approval Year

Name Type Language
R-547 MESYLATE
Common Name English
RG-547 MESYLATE
Code English
RO-4584820 MESYLATE
Code English
4-PIPERIDINAMINE, N-(4-AMINO-5-(2,3-DIFLUORO-6-METHOXYBENZOYL)-2-PYRIMIDINYL)-1-(METHYLSULFONYL)-, MONOMETHANESULFONATE
Systematic Name English
METHANONE, (4-AMINO-2-((1-(METHYLSULFONYL)-4-PIPERIDINYL)AMINO)-5-PYRIMIDINYL)(2,3-DIFLUORO-6-METHOXYPHENYL)-, METHANESULFONATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
5PW9W9T6HK
Created by admin on Fri Dec 15 15:50:33 UTC 2023 , Edited by admin on Fri Dec 15 15:50:33 UTC 2023
PRIMARY
PUBCHEM
91618035
Created by admin on Fri Dec 15 15:50:33 UTC 2023 , Edited by admin on Fri Dec 15 15:50:33 UTC 2023
PRIMARY
CAS
869369-26-6
Created by admin on Fri Dec 15 15:50:33 UTC 2023 , Edited by admin on Fri Dec 15 15:50:33 UTC 2023
PRIMARY