ROVAFOVIR ETALAFENAMIDE CITRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24FN6O6P.C6H8O7
Molecular Weight	698.5475
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ROVAFOVIR ETALAFENAMIDE CITRATE

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CCOC(=O)[C@H](C)N[P@@](=O)(CO[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C23)C(F)=C1)OC4=CC=CC=C4

InChI

InChIKey=UQNIBOGIUNYYCZ-XBRDKGPFSA-N

InChI=1S/C21H24FN6O6P.C6H8O7/c1-3-31-21(29)13(2)27-35(30,34-14-7-5-4-6-8-14)12-32-16-9-15(22)20(33-16)28-11-26-17-18(23)24-10-25-19(17)28;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-11,13,16,20H,3,12H2,1-2H3,(H,27,30)(H2,23,24,25);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t13-,16-,20+,35+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C21H24FN6O6P
Molecular Weight	506.424
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C6H8O7
Molecular Weight	192.1235
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:34:38 UTC 2023` Edited by `admin` on `Sat Dec 16 15:34:38 UTC 2023`
Record UNII	PQY41X26YL
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ROVAFOVIR ETALAFENAMIDE CITRATE

Official Name

English

Ethyl (2S)-{[(S)-({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)phenoxyphosphonoyl]amino}propanoate, 2-hydroxypropane-1,2,3-tricarboxylate (1:1)

Systematic Name

English

L-ALANINE, N-((S)-((((2R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-FLUORO-2,5-DIHYDRO-2-FURANYL)OXY)METHYL)PHENOXYPHOSPHINYL)-, ETHYL ESTER, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

Systematic Name

English

GS9131 CITRATE

Code

English

ROVAFOVIR ETALAFENAMIDE CITRATE [USAN]

Common Name

English

GS-9131 CITRATE

Code

English

Code System Code Type Description

SMS_ID

300000044619