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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26N6O6
Molecular Weight 458.4677
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYLOXYCARBONYL VALACYCLOVIR

SMILES

CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)OCCOCN2C=NC3=C2N=C(N)NC3=O

InChI

InChIKey=ZQSUAJRZJTUOEA-HNNXBMFYSA-N
InChI=1S/C21H26N6O6/c1-13(2)15(24-21(30)33-10-14-6-4-3-5-7-14)19(29)32-9-8-31-12-27-11-23-16-17(27)25-20(22)26-18(16)28/h3-7,11,13,15H,8-10,12H2,1-2H3,(H,24,30)(H3,22,25,26,28)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H26N6O6
Molecular Weight 458.4677
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:10:49 UTC 2023
Edited
by admin
on Sat Dec 16 10:10:49 UTC 2023
Record UNII
D5326179KU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYLOXYCARBONYL VALACYCLOVIR
Common Name English
VALACYCLOVIR RELATED COMPOUND E [USP IMPURITY]
Common Name English
VALACICLOVIR HYDROCHLORIDE IMPURITY E [EP IMPURITY]
Common Name English
VALACYCLOVIR RELATED COMPOUND E [USP-RS]
Common Name English
L-VALINE, N-((PHENYLMETHOXY)CARBONYL)-, 2-((2-AMINO-1,6-DIHYDRO-6-OXO-9H-PURIN-9-YL)METHOXY)ETHYL ESTER
Systematic Name English
2-((2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)METHOXY)ETHYL N-((BENZYLOXY)CARBONYL)-L-VALINATE
Systematic Name English
ACYCLOVIR N-(PHENYLMETHOXY)CARBONYL-L-VALINATE
Systematic Name English
VALACYCLOVIR RELATED COMPOUND E
USP   USP-RS  
Common Name English
Code System Code Type Description
FDA UNII
D5326179KU
Created by admin on Sat Dec 16 10:10:50 UTC 2023 , Edited by admin on Sat Dec 16 10:10:50 UTC 2023
PRIMARY
PUBCHEM
135467921
Created by admin on Sat Dec 16 10:10:50 UTC 2023 , Edited by admin on Sat Dec 16 10:10:50 UTC 2023
PRIMARY
EPA CompTox
DTXSID10924945
Created by admin on Sat Dec 16 10:10:50 UTC 2023 , Edited by admin on Sat Dec 16 10:10:50 UTC 2023
PRIMARY
CAS
124832-31-1
Created by admin on Sat Dec 16 10:10:50 UTC 2023 , Edited by admin on Sat Dec 16 10:10:50 UTC 2023
PRIMARY
RS_ITEM_NUM
1707872
Created by admin on Sat Dec 16 10:10:50 UTC 2023 , Edited by admin on Sat Dec 16 10:10:50 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (TLC)
USP