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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H31N11O7
Molecular Weight 561.551
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2'-(METHYLENEBIS(AZANEDIYL))BIS(9-((2-HYDROXYETHOXY)METHYL)-1H-PURIN-6(9H)-ONE) MONOVALINATE

SMILES

CC(C)[C@H](N)C(=O)OCCOCN1C=NC2=C1N=C(NCNC3=NC4=C(N=CN4COCCO)C(=O)N3)NC2=O

InChI

InChIKey=WGSTYMPSKYAUNV-ZDUSSCGKSA-N
InChI=1S/C22H31N11O7/c1-12(2)13(23)20(37)40-6-5-39-11-33-9-27-15-17(33)29-22(31-19(15)36)25-7-24-21-28-16-14(18(35)30-21)26-8-32(16)10-38-4-3-34/h8-9,12-13,34H,3-7,10-11,23H2,1-2H3,(H2,24,28,30,35)(H2,25,29,31,36)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H31N11O7
Molecular Weight 561.551
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:59:12 GMT 2023
Edited
by admin
on Sat Dec 16 07:59:12 GMT 2023
Record UNII
UE881PZ96S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2'-(METHYLENEBIS(AZANEDIYL))BIS(9-((2-HYDROXYETHOXY)METHYL)-1H-PURIN-6(9H)-ONE) MONOVALINATE
Systematic Name English
2-((2-((((9-((2-HYDROXYETHOXY)METHYL)-6-OXO-6,9-DIHYDRO-1H-PURIN-2-YL)AMINO)METHYL)AMINO)-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)METHOXY)ETHYL L-VALINATE
Systematic Name English
VALACICLOVIR HYDROCHLORIDE, ANHYDROUS IMPURITY O [EP IMPURITY]
Common Name English
BIS-ACYCLOVIR MONOVALINATE
Common Name English
Code System Code Type Description
FDA UNII
UE881PZ96S
Created by admin on Sat Dec 16 07:59:12 GMT 2023 , Edited by admin on Sat Dec 16 07:59:12 GMT 2023
PRIMARY
PUBCHEM
135565348
Created by admin on Sat Dec 16 07:59:12 GMT 2023 , Edited by admin on Sat Dec 16 07:59:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP