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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22F4N4O3
Molecular Weight 466.4287
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-2-(8-FLUORO-3-(2-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)-2-(PIPERAZIN-1-YL)-3,4-DIHYDROQUINAZOLIN-4-YL)ACETIC ACID

SMILES

COC1=CC=C(C=C1N2[C@@H](CC(O)=O)C3=C(N=C2N4CCNCC4)C(F)=CC=C3)C(F)(F)F

InChI

InChIKey=VGEUYEUHLFEMQV-INIZCTEOSA-N
InChI=1S/C22H22F4N4O3/c1-33-18-6-5-13(22(24,25)26)11-17(18)30-16(12-19(31)32)14-3-2-4-15(23)20(14)28-21(30)29-9-7-27-8-10-29/h2-6,11,16,27H,7-10,12H2,1H3,(H,31,32)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H22F4N4O3
Molecular Weight 466.4287
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 Thu Jul 06 20:25:12 UTC 2023
Edited
by admin
on Thu Jul 06 20:25:12 UTC 2023
Record UNII
AG1TAA1GUF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-2-(8-FLUORO-3-(2-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)-2-(PIPERAZIN-1-YL)-3,4-DIHYDROQUINAZOLIN-4-YL)ACETIC ACID
Systematic Name English
LETERMOVIR METABOLITE M11
Common Name English
Code System Code Type Description
FDA UNII
AG1TAA1GUF
Created by admin on Thu Jul 06 20:25:12 UTC 2023 , Edited by admin on Thu Jul 06 20:25:12 UTC 2023
PRIMARY
PUBCHEM
134687256
Created by admin on Thu Jul 06 20:25:12 UTC 2023 , Edited by admin on Thu Jul 06 20:25:12 UTC 2023
PRIMARY
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