U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H35N3O6
Molecular Weight 497.5833
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALNIVUDINE

SMILES

CCCCCC1=CC=C(C=C1)C2=CC3=CN([C@H]4C[C@H](O)[C@@H](COC(=O)[C@@H](N)C(C)C)O4)C(=O)N=C3O2

InChI

InChIKey=FJRRWJMFUNGZBJ-RBVMOCNTSA-N
InChI=1S/C27H35N3O6/c1-4-5-6-7-17-8-10-18(11-9-17)21-12-19-14-30(27(33)29-25(19)36-21)23-13-20(31)22(35-23)15-34-26(32)24(28)16(2)3/h8-12,14,16,20,22-24,31H,4-7,13,15,28H2,1-3H3/t20-,22+,23+,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H35N3O6
Molecular Weight 497.5833
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:41:35 UTC 2023
Edited
by admin
on Sat Dec 16 05:41:35 UTC 2023
Record UNII
0NJ5F6D4U7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VALNIVUDINE
INN   WHO-DD  
INN  
Official Name English
((2R,3S,5R)-3-HYDROXY-5-(2-OXO-6-(4-PENTYLPHENYL)FURO(2,3- D)PYRIMIDIN-3(2H)-YL)OXOLAN-2-YL)METHYL L-VALINATE ANTIVIRAL
Common Name English
FV-100 FREE BASE
Code English
Valnivudine [WHO-DD]
Common Name English
valnivudine [INN]
Common Name English
L-VALINE, 5'-ESTER WITH 3-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-6-(4-PENTYLPHENYL)FURO(2,3-D)PYRIMIDIN-2(3H)-ONE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1557
Created by admin on Sat Dec 16 05:41:35 UTC 2023 , Edited by admin on Sat Dec 16 05:41:35 UTC 2023
NCI_THESAURUS C281
Created by admin on Sat Dec 16 05:41:35 UTC 2023 , Edited by admin on Sat Dec 16 05:41:35 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID30241909
Created by admin on Sat Dec 16 05:41:35 UTC 2023 , Edited by admin on Sat Dec 16 05:41:35 UTC 2023
PRIMARY
NCI_THESAURUS
C152817
Created by admin on Sat Dec 16 05:41:35 UTC 2023 , Edited by admin on Sat Dec 16 05:41:35 UTC 2023
PRIMARY
WIKIPEDIA
FV-100
Created by admin on Sat Dec 16 05:41:35 UTC 2023 , Edited by admin on Sat Dec 16 05:41:35 UTC 2023
PRIMARY
INN
10397
Created by admin on Sat Dec 16 05:41:35 UTC 2023 , Edited by admin on Sat Dec 16 05:41:35 UTC 2023
PRIMARY
SMS_ID
100000174659
Created by admin on Sat Dec 16 05:41:35 UTC 2023 , Edited by admin on Sat Dec 16 05:41:35 UTC 2023
PRIMARY
PUBCHEM
16063377
Created by admin on Sat Dec 16 05:41:35 UTC 2023 , Edited by admin on Sat Dec 16 05:41:35 UTC 2023
PRIMARY
CAS
956483-02-6
Created by admin on Sat Dec 16 05:41:35 UTC 2023 , Edited by admin on Sat Dec 16 05:41:35 UTC 2023
PRIMARY
FDA UNII
0NJ5F6D4U7
Created by admin on Sat Dec 16 05:41:35 UTC 2023 , Edited by admin on Sat Dec 16 05:41:35 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
ACTIVE MOIETY