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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H34F3N5O4
Molecular Weight 513.5531
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Guretolimod

SMILES

CCC[C@@H](CCO)NC1=NC(N)=NC(C)=C1CC2=C(OC)C=C(CN(CC(O)=O)CC(F)(F)F)C=C2

InChI

InChIKey=XWGKZKKNJOQUSG-SFHVURJKSA-N
InChI=1S/C24H34F3N5O4/c1-4-5-18(8-9-33)30-22-19(15(2)29-23(28)31-22)11-17-7-6-16(10-20(17)36-3)12-32(13-21(34)35)14-24(25,26)27/h6-7,10,18,33H,4-5,8-9,11-14H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H34F3N5O4
Molecular Weight 513.5531
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:27:17 GMT 2023
Edited
by admin
on Sat Dec 16 14:27:17 GMT 2023
Record UNII
2UG29YVL56
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Guretolimod
INN   USAN  
Official Name English
DSP-0509
Code English
DSR-106509
Code English
GURETOLIMOD [USAN]
Common Name English
Glycine, N-[[4-[[2-amino-4-[[(1S)-1-(2-hydroxyethyl)butyl]amino]-6-methyl-5-pyrimidinyl]methyl]-3-methoxyphenyl]methyl]-N-(2,2,2-trifluoroethyl)-
Systematic Name English
guretolimod [INN]
Common Name English
DSP0509
Code English
[({4-[(2-amino-4-{[(3S)-1-hydroxyhexan-3-yl]amino}-6-methylpyrimidin-5-yl)methyl]-3-methoxyphenyl}methyl)(2,2,2-trifluoroethyl)amino]acetic acid
Systematic Name English
Code System Code Type Description
USAN
KL-166
Created by admin on Sat Dec 16 14:27:17 GMT 2023 , Edited by admin on Sat Dec 16 14:27:17 GMT 2023
PRIMARY
SMS_ID
300000038030
Created by admin on Sat Dec 16 14:27:17 GMT 2023 , Edited by admin on Sat Dec 16 14:27:17 GMT 2023
PRIMARY
INN
11550
Created by admin on Sat Dec 16 14:27:17 GMT 2023 , Edited by admin on Sat Dec 16 14:27:17 GMT 2023
PRIMARY INN
PUBCHEM
72548788
Created by admin on Sat Dec 16 14:27:17 GMT 2023 , Edited by admin on Sat Dec 16 14:27:17 GMT 2023
PRIMARY
FDA UNII
2UG29YVL56
Created by admin on Sat Dec 16 14:27:17 GMT 2023 , Edited by admin on Sat Dec 16 14:27:17 GMT 2023
PRIMARY
NCI_THESAURUS
C153314
Created by admin on Sat Dec 16 14:27:17 GMT 2023 , Edited by admin on Sat Dec 16 14:27:17 GMT 2023
PRIMARY
CAS
1488364-57-3
Created by admin on Sat Dec 16 14:27:17 GMT 2023 , Edited by admin on Sat Dec 16 14:27:17 GMT 2023
PRIMARY
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