(S)-2-(8-FLUORO-2-(4-(3-HYDROXYPHENYL)PIPERAZIN-1-YL)-3-(2-METHOXY-5-(TRIFLUOROMETHYL)PHENYL)-3,4-DIHYDROQUINAZOLIN-4-YL)ACETIC ACID

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

Structure Search

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 `Sat Dec 16 15:12:42 UTC 2023` Edited by `admin` on `Sat Dec 16 15:12:42 UTC 2023`
Record UNII	G6T2SO864F
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 15:12:42 UTC 2023 , Edited by admin on Sat Dec 16 15:12:42 UTC 2023

PRIMARY

FDA UNII

G6T2SO864F

Created by admin on Sat Dec 16 15:12:42 UTC 2023 , Edited by admin on Sat Dec 16 15:12:42 UTC 2023

PRIMARY

Related Record Type Details


					1H09Y5WO1F

LETERMOVIR

PARENT -> METABOLITE

Amount: