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Details

Stereochemistry ACHIRAL
Molecular Formula C28H22Cl3N3O5.C4H11NO3
Molecular Weight 707.985
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CILOFEXOR TROMETHAMINE

SMILES

NC(CO)(CO)CO.OC(=O)C1=CC(=NC=C1)N2CC(O)(C2)C3=CC=C(OCC4=C(ON=C4C5=C(Cl)C=CC=C5Cl)C6CC6)C=C3Cl

InChI

InChIKey=CUWTTWVBVUZPAP-UHFFFAOYSA-N
InChI=1S/C28H22Cl3N3O5.C4H11NO3/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23;5-4(1-6,2-7)3-8/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36);6-8H,1-3,5H2

HIDE SMILES / InChI

Molecular Formula C28H22Cl3N3O5
Molecular Weight 586.85
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H11NO3
Molecular Weight 121.135
Charge 0
Count
Stereochemistry ACHIRAL
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 11:50:57 GMT 2023
Edited
by admin
on Sat Dec 16 11:50:57 GMT 2023
Record UNII
Z7AR0KNS4A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CILOFEXOR TROMETHAMINE
Common Name English
2-(3-(2-CHLORO-4-((5-CYCLOPROPYL-3-(2,6-DICHLOROPHENYL)-1,2-OXAZOL-4-YL)METHOXY)PHENYL)-3-HYDROXYAZETIDIN-1-YL)PYRIDINE-4-CARBOXYLIC ACID, 2-AMINO-2-(HYDROXYMETHYL)PROPANE-1,3-DIOL (1/1)
Systematic Name English
GS-9674 TROMETHAMINE
Common Name English
GS-9674 TROMETHAMINE SALT
Common Name English
4-PYRIDINECARBOXYLIC ACID, 2-(3-(2-CHLORO-4-((5-CYCLOPROPYL-3-(2,6-DICHLOROPHENYL)-4-ISOXAZOLYL)METHOXY)PHENYL)-3-HYDROXY-1-AZETIDINYL)-, COMPD. WITH 2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL (1:1)
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 658018
Created by admin on Sat Dec 16 11:50:57 GMT 2023 , Edited by admin on Sat Dec 16 11:50:57 GMT 2023
EU-Orphan Drug EU/3/19/2147
Created by admin on Sat Dec 16 11:50:57 GMT 2023 , Edited by admin on Sat Dec 16 11:50:57 GMT 2023
Code System Code Type Description
FDA UNII
Z7AR0KNS4A
Created by admin on Sat Dec 16 11:50:57 GMT 2023 , Edited by admin on Sat Dec 16 11:50:57 GMT 2023
PRIMARY
SMS_ID
100000181048
Created by admin on Sat Dec 16 11:50:57 GMT 2023 , Edited by admin on Sat Dec 16 11:50:57 GMT 2023
PRIMARY
CAS
2253764-93-9
Created by admin on Sat Dec 16 11:50:57 GMT 2023 , Edited by admin on Sat Dec 16 11:50:57 GMT 2023
PRIMARY
PUBCHEM
138756741
Created by admin on Sat Dec 16 11:50:57 GMT 2023 , Edited by admin on Sat Dec 16 11:50:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY