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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H20FN5O
Molecular Weight 293.3399
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SELGANTOLIMOD

SMILES

CCCC[C@@](C)(CO)NC1=C2N=CC(F)=CC2=NC(N)=N1

InChI

InChIKey=HTCJUBZBSJQWBW-AWEZNQCLSA-N
InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m0/s1

HIDE SMILES / InChI
Molecular Formula C14H20FN5O
Molecular Weight 293.3399
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Tue Apr 01 22:29:26 GMT 2025
Edited
by admin
on Tue Apr 01 22:29:26 GMT 2025
Record UNII
RM4GJT3SMQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GS-9688
Preferred Name English
SELGANTOLIMOD
USAN   INN  
Official Name English
Selgantolimod [WHO-DD]
Common Name English
SELGANTOLIMOD [USAN]
Common Name English
1-HEXANOL, 2-((2-AMINO-7-FLUOROPYRIDO(3,2-D)PYRIMIDIN-4-YL)AMINO)-2-METHYL-, (2R)-
Systematic Name English
selgantolimod [INN]
Common Name English
(2R)-2-((2-AMINO-7-FLUOROPYRIDO(3,2-D)PYRIMIDIN-4-YL)AMINO)-2-METHYLHEXAN-1-OL
Systematic Name English
(2R)-2-((2-AMINO-7-FLUOROPYRIDO(3,2-D)PYRIMIDIN-4-YL)AMINO)-2-METHYL-1-HEXANOL
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C170376
Created by admin on Tue Apr 01 22:29:26 GMT 2025 , Edited by admin on Tue Apr 01 22:29:26 GMT 2025
PRIMARY
PUBCHEM
122585383
Created by admin on Tue Apr 01 22:29:26 GMT 2025 , Edited by admin on Tue Apr 01 22:29:26 GMT 2025
PRIMARY
FDA UNII
RM4GJT3SMQ
Created by admin on Tue Apr 01 22:29:26 GMT 2025 , Edited by admin on Tue Apr 01 22:29:26 GMT 2025
PRIMARY
CAS
2004677-13-6
Created by admin on Tue Apr 01 22:29:26 GMT 2025 , Edited by admin on Tue Apr 01 22:29:26 GMT 2025
PRIMARY
SMS_ID
300000005920
Created by admin on Tue Apr 01 22:29:26 GMT 2025 , Edited by admin on Tue Apr 01 22:29:26 GMT 2025
PRIMARY
USAN
HI-148
Created by admin on Tue Apr 01 22:29:26 GMT 2025 , Edited by admin on Tue Apr 01 22:29:26 GMT 2025
PRIMARY
INN
10986
Created by admin on Tue Apr 01 22:29:26 GMT 2025 , Edited by admin on Tue Apr 01 22:29:26 GMT 2025
PRIMARY
Related Record Type Details
TOLL-LIKE RECEPTOR 8
TARGET -> AGONIST
EC50
Related Record Type Details
Structure of SELGANTOLIMOD
ACTIVE MOIETY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966