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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H26F4N4O4
Molecular Weight 558.5241
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

COC1=CC=C(C=C1N2[C@@H](CC(O)=O)C3=C(N=C2N4CCN(CC4)C5=CC=CC(O)=C5)C(F)=CC=C3)C(F)(F)F

InChI

InChIKey=JCRXPPBWLDKBLD-QFIPXVFZSA-N
InChI=1S/C28H26F4N4O4/c1-40-24-9-8-17(28(30,31)32)14-23(24)36-22(16-25(38)39)20-6-3-7-21(29)26(20)33-27(36)35-12-10-34(11-13-35)18-4-2-5-19(37)15-18/h2-9,14-15,22,37H,10-13,16H2,1H3,(H,38,39)/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H26F4N4O4
Molecular Weight 558.5241
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 20:46:27 UTC 2023
Edited
by admin
on Thu Jul 06 20:46:27 UTC 2023
Record UNII
G6T2SO864F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-2-(8-FLUORO-2-(4-(3-HYDROXYPHENYL)PIPERAZIN-1-YL)-3-(2-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)-3,4-DIHYDROQUINAZOLIN-4-YL)ACETIC ACID
Systematic Name English
LETERMOVIR METABOLITE M3
Common Name English
Code System Code Type Description
PUBCHEM
134687522
Created by admin on Thu Jul 06 20:46:27 UTC 2023 , Edited by admin on Thu Jul 06 20:46:27 UTC 2023
PRIMARY
FDA UNII
G6T2SO864F
Created by admin on Thu Jul 06 20:46:27 UTC 2023 , Edited by admin on Thu Jul 06 20:46:27 UTC 2023
PRIMARY
Related Record Type Details
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