Des-phenyl-remdesivir

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H31N6O8P
Molecular Weight	526.48
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(CC)COC(=O)[C@H](C)NP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)C2=CC=C3N2N=CN=C3N

InChI

InChIKey=HYPRGHOYFMDFNG-KOHYREPUSA-N

InChI=1S/C21H31N6O8P/c1-4-13(5-2)8-33-20(30)12(3)26-36(31,32)34-9-15-17(28)18(29)21(10-22,35-15)16-7-6-14-19(23)24-11-25-27(14)16/h6-7,11-13,15,17-18,28-29H,4-5,8-9H2,1-3H3,(H2,23,24,25)(H2,26,31,32)/t12-,15+,17+,18+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H31N6O8P
Molecular Weight	526.48
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:15:20 UTC 2023` Edited by `admin` on `Sat Dec 16 19:15:20 UTC 2023`
Record UNII	3W3LMG67VX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Des-phenyl-remdesivir

Common Name

English

2-ethylbutyl ((R)-(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)-L-alaninate

Systematic Name

English

Code System Code Type Description

CAS

2768006-90-0

Created by admin on Sat Dec 16 19:15:20 UTC 2023 , Edited by admin on Sat Dec 16 19:15:20 UTC 2023

PRIMARY

PUBCHEM

164512912

Created by admin on Sat Dec 16 19:15:20 UTC 2023 , Edited by admin on Sat Dec 16 19:15:20 UTC 2023

PRIMARY

FDA UNII

3W3LMG67VX

Created by admin on Sat Dec 16 19:15:20 UTC 2023 , Edited by admin on Sat Dec 16 19:15:20 UTC 2023

PRIMARY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Blood-to-plasma ratio	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC