FIPRAVIRIMAT M1 Metabolite

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H77FN2O9S
Molecular Weight	889.207
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@@H](CC[C@@]1(CC[C@]3(C)[C@]2([H])CC[C@]4([H])[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC[C@@]34C)NCCN8CCS(=O)(=O)CC8)C(C)=C

InChI

InChIKey=GAIICOUZJLZLEU-KLKNJKQTSA-N

InChI=1S/C49H77FN2O9S/c1-30(2)32-12-19-49(51-22-23-52-24-26-62(58,59)27-25-52)21-20-46(6)34(38(32)49)8-9-37-45(5)15-13-33(44(3,4)36(45)14-16-47(37,46)7)31-10-17-48(29-50,18-11-31)43(57)61-42-41(56)40(55)39(54)35(28-53)60-42/h10,13,32,34-42,51,53-56H,1,8-9,11-12,14-29H2,2-7H3/t32-,34+,35+,36-,37+,38+,39+,40-,41+,42-,45-,46+,47+,48+,49-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C49H77FN2O9S
Molecular Weight	889.207
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:29:47 UTC 2023` Edited by `admin` on `Sat Dec 16 19:29:47 UTC 2023`
Record UNII	CHV9PM6LNM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FIPRAVIRIMAT M1 Metabolite

Common Name

English

GSK3640254 acyl glucuronide conjugate

Common Name

English

Code System Code Type Description

PUBCHEM

167713266

Created by admin on Sat Dec 16 19:29:47 UTC 2023 , Edited by admin on Sat Dec 16 19:29:47 UTC 2023

PRIMARY

FDA UNII

CHV9PM6LNM

Created by admin on Sat Dec 16 19:29:47 UTC 2023 , Edited by admin on Sat Dec 16 19:29:47 UTC 2023

PRIMARY

Related Record Type Details


					M5FP5REG5Q

Fipravirimat

PARENT -> METABOLITE

Comments:

Forms in bile in high amounts may be recirculated back into plasma.

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC