P-HYDROXY ELVITEGRAVIR

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 Search

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

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:30:32 UTC 2023` Edited by `admin` on `Sat Dec 16 01:30:32 UTC 2023`
Record UNII	7H5PG477IY
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 01:30:32 UTC 2023 , Edited by admin on Sat Dec 16 01:30:32 UTC 2023

PRIMARY

CAS

870648-10-5

Created by admin on Sat Dec 16 01:30:32 UTC 2023 , Edited by admin on Sat Dec 16 01:30:32 UTC 2023

PRIMARY

FDA UNII

7H5PG477IY

Created by admin on Sat Dec 16 01:30:32 UTC 2023 , Edited by admin on Sat Dec 16 01:30:32 UTC 2023

PRIMARY

PUBCHEM

11547180

Created by admin on Sat Dec 16 01:30:32 UTC 2023 , Edited by admin on Sat Dec 16 01:30:32 UTC 2023

PRIMARY

Related Record Type Details


					4GDQ854U53

ELVITEGRAVIR

PARENT -> METABOLITE LESS ACTIVE

Comments:

Elvitegravir is also metabolized via CYP3A to hydroxy-EVG [metabolite M1]