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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H22N6O5.ClH
Molecular Weight 390.823
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALGANCICLOVIR HYDROCHLORIDE, (S)-

SMILES

Cl.CC(C)[C@H](N)C(=O)OC[C@H](CO)OCN1C=NC2=C1N=C(N)NC2=O

InChI

InChIKey=ZORWARFPXPVJLW-OZZZDHQUSA-N
InChI=1S/C14H22N6O5.ClH/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22;/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22);1H/t8-,9-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C14H22N6O5
Molecular Weight 354.3617
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
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 Fri Dec 15 15:57:45 UTC 2023
Edited
by admin
on Fri Dec 15 15:57:45 UTC 2023
Record UNII
J0IEW0BSHV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VALGANCICLOVIR HYDROCHLORIDE, (S)-
Common Name English
L-VALINE, 2-((2-AMINO-1,6-DIHYDRO-6-OXO-9H-PURIN-9-YL)METHOXY)-3-HYDROXYPROPYL ESTER, MONOHYDROCHLORIDE, (S)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40170034
Created by admin on Fri Dec 15 15:57:45 UTC 2023 , Edited by admin on Fri Dec 15 15:57:45 UTC 2023
PRIMARY
PUBCHEM
135565147
Created by admin on Fri Dec 15 15:57:45 UTC 2023 , Edited by admin on Fri Dec 15 15:57:45 UTC 2023
PRIMARY
CAS
175865-61-9
Created by admin on Fri Dec 15 15:57:45 UTC 2023 , Edited by admin on Fri Dec 15 15:57:45 UTC 2023
PRIMARY
FDA UNII
J0IEW0BSHV
Created by admin on Fri Dec 15 15:57:45 UTC 2023 , Edited by admin on Fri Dec 15 15:57:45 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE