Valganciclovir N3,N3'-methylene dimer

Details

Stereochemistry	MIXED
Molecular Formula	C29H44N12O10
Molecular Weight	720.7341
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Valganciclovir N3,N3'-methylene dimer

Structure Search

SMILES

CC(C)[C@H](N)C(=O)OCC(CO)OCN1C=NC2=C1NC(NCNC3=NC(=O)C4=C(N3)N(COC(CO)COC(=O)[C@@H](N)C(C)C)C=N4)=NC2=O

InChI

InChIKey=DIHCHOAFMJSQHS-BTRQGYIVSA-N

InChI=1S/C29H44N12O10/c1-14(2)18(30)26(46)48-7-16(5-42)50-12-40-10-34-20-22(40)36-28(38-24(20)44)32-9-33-29-37-23-21(25(45)39-29)35-11-41(23)13-51-17(6-43)8-49-27(47)19(31)15(3)4/h10-11,14-19,42-43H,5-9,12-13,30-31H2,1-4H3,(H2,32,36,38,44)(H2,33,37,39,45)/t16?,17?,18-,19-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

L-Valine, 1,1?-[methylenebis[imino(1,6-dihydro-6-oxo-9H-purine-2,9-diyl)methyleneoxy[2-(hydroxymethyl)-2,1-ethanediyl]]] ester

Preferred Name

English

Valganciclovir N3,N3'-methylene dimer

Common Name

English

[2-[[2-[[[9-[[1-[[(2S)-2-Amino-3-methyl-butanoyl]oxymethyl]-2-hydroxy-ethoxy]methyl]-6-oxo-3H-purin-2-yl]amino]methylamino]-6-oxo-3H-purin-9-yl]methoxy]-3-hydroxy-propyl] (2S)-2-amino-3-methyl-butanoate

Systematic Name

English

Code System Code Type Description

FDA UNII

8LDZ9XA6PG

Created by admin on Wed Apr 02 17:12:00 GMT 2025 , Edited by admin on Wed Apr 02 17:12:00 GMT 2025

PRIMARY

CAS

1401661-96-8

Created by admin on Wed Apr 02 17:12:00 GMT 2025 , Edited by admin on Wed Apr 02 17:12:00 GMT 2025

PRIMARY

PUBCHEM