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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H23ClFNO6
Molecular Weight 463.883
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-HYDROXY ELVITEGRAVIR

SMILES

COC1=C(CC2=CC=C(O)C(Cl)=C2F)C=C3C(=O)C(=CN([C@H](CO)C(C)C)C3=C1)C(O)=O

InChI

InChIKey=GNIALGRWHDDBLY-QGZVFWFLSA-N
InChI=1S/C23H23ClFNO6/c1-11(2)17(10-27)26-9-15(23(30)31)22(29)14-7-13(19(32-3)8-16(14)26)6-12-4-5-18(28)20(24)21(12)25/h4-5,7-9,11,17,27-28H,6,10H2,1-3H3,(H,30,31)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H23ClFNO6
Molecular Weight 463.883
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 07:48:37 UTC 2023
Edited
by admin
on Thu Jul 06 07:48:37 UTC 2023
Record UNII
7H5PG477IY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-HYDROXY ELVITEGRAVIR
Common Name English
ELVITEGRAVIR (M1)
Common Name English
3-QUINOLINECARBOXYLIC ACID, 6-((3-CHLORO-2-FLUORO-4-HYDROXYPHENYL)METHYL)-1,4-DIHYDRO-1-((1S)-1-(HYDROXYMETHYL)-2-METHYLPROPYL)-7-METHOXY-4-OXO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50870376
Created by admin on Thu Jul 06 07:48:37 UTC 2023 , Edited by admin on Thu Jul 06 07:48:37 UTC 2023
PRIMARY
CAS
870648-10-5
Created by admin on Thu Jul 06 07:48:37 UTC 2023 , Edited by admin on Thu Jul 06 07:48:37 UTC 2023
PRIMARY
FDA UNII
7H5PG477IY
Created by admin on Thu Jul 06 07:48:37 UTC 2023 , Edited by admin on Thu Jul 06 07:48:37 UTC 2023
PRIMARY
PUBCHEM
11547180
Created by admin on Thu Jul 06 07:48:37 UTC 2023 , Edited by admin on Thu Jul 06 07:48:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
Elvitegravir is also metabolized via CYP3A to hydroxy-EVG [metabolite M1]