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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24N4O6.2ClH
Molecular Weight 429.296
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALOPICITABINE DIHYDROCHLORIDE

SMILES

Cl.Cl.CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](N2C=CC(N)=NC2=O)[C@]1(C)O

InChI

InChIKey=XENHXZMAOSTXGD-DSMKLBDQSA-N
InChI=1S/C15H24N4O6.2ClH/c1-7(2)10(17)12(21)25-11-8(6-20)24-13(15(11,3)23)19-5-4-9(16)18-14(19)22;;/h4-5,7-8,10-11,13,20,23H,6,17H2,1-3H3,(H2,16,18,22);2*1H/t8-,10+,11-,13-,15-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
VALOPICITABINE DIHYDROCHLORIDE
USAN  
USAN  
Official Name English
VALOPICITABINE DIHYDROCHLORIDE [USAN]
Common Name English
L-VALINE, 3'-ESTER WITH 2'-C-METHYLCYTIDINE, DIHYDROCHLORIDE
Common Name English
NM-283 DIHYDROCHLORIDE
Code English
Classification Tree Code System Code
NCI_THESAURUS C1557
Created by admin on Fri Dec 15 15:45:23 UTC 2023 , Edited by admin on Fri Dec 15 15:45:23 UTC 2023
Code System Code Type Description
SMS_ID
300000044535
Created by admin on Fri Dec 15 15:45:23 UTC 2023 , Edited by admin on Fri Dec 15 15:45:23 UTC 2023
PRIMARY
CAS
640725-71-9
Created by admin on Fri Dec 15 15:45:23 UTC 2023 , Edited by admin on Fri Dec 15 15:45:23 UTC 2023
PRIMARY
FDA UNII
7KNU786IT4
Created by admin on Fri Dec 15 15:45:23 UTC 2023 , Edited by admin on Fri Dec 15 15:45:23 UTC 2023
PRIMARY
USAN
QQ-96
Created by admin on Fri Dec 15 15:45:23 UTC 2023 , Edited by admin on Fri Dec 15 15:45:23 UTC 2023
PRIMARY
ChEMBL
CHEMBL393820
Created by admin on Fri Dec 15 15:45:23 UTC 2023 , Edited by admin on Fri Dec 15 15:45:23 UTC 2023
PRIMARY
DRUG BANK
DBSALT002578
Created by admin on Fri Dec 15 15:45:23 UTC 2023 , Edited by admin on Fri Dec 15 15:45:23 UTC 2023
PRIMARY
NCI_THESAURUS
C72874
Created by admin on Fri Dec 15 15:45:23 UTC 2023 , Edited by admin on Fri Dec 15 15:45:23 UTC 2023
PRIMARY
PUBCHEM
11293303
Created by admin on Fri Dec 15 15:45:23 UTC 2023 , Edited by admin on Fri Dec 15 15:45:23 UTC 2023
PRIMARY