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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H19ClN4O5
Molecular Weight 442.852
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-CHLORO-4-(((CYCLOPROPYLAMINO)CARBONYL)AMINO)PHENOXY)-1,2-DIHYDRO-7-METHOXY-2-OXO-6-QUINOLINECARBOXAMIDE

SMILES

COC1=CC2=C(C=C1C(N)=O)C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC(=O)N2

InChI

InChIKey=CCRBWARCHWHBNA-UHFFFAOYSA-N
InChI=1S/C21H19ClN4O5/c1-30-17-8-16-12(7-13(17)20(23)28)18(9-19(27)25-16)31-11-4-5-15(14(22)6-11)26-21(29)24-10-2-3-10/h4-10H,2-3H2,1H3,(H2,23,28)(H,25,27)(H2,24,26,29)

HIDE SMILES / InChI

Molecular Formula C21H19ClN4O5
Molecular Weight 442.852
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 Sat Dec 16 11:36:51 UTC 2023
Edited
by admin
on Sat Dec 16 11:36:51 UTC 2023
Record UNII
VVJ29W4DWT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(3-CHLORO-4-(((CYCLOPROPYLAMINO)CARBONYL)AMINO)PHENOXY)-1,2-DIHYDRO-7-METHOXY-2-OXO-6-QUINOLINECARBOXAMIDE
Systematic Name English
ME115
Common Name English
6-QUINOLINECARBOXAMIDE, 4-(3-CHLORO-4-(((CYCLOPROPYLAMINO)CARBONYL)AMINO)PHENOXY)-1,2-DIHYDRO-7-METHOXY-2-OXO-
Systematic Name English
LENVATINIB METABOLITE ME115
Common Name English
Code System Code Type Description
PUBCHEM
156596540
Created by admin on Sat Dec 16 11:36:51 UTC 2023 , Edited by admin on Sat Dec 16 11:36:51 UTC 2023
PRIMARY
CAS
1788899-64-8
Created by admin on Sat Dec 16 11:36:51 UTC 2023 , Edited by admin on Sat Dec 16 11:36:51 UTC 2023
PRIMARY
FDA UNII
VVJ29W4DWT
Created by admin on Sat Dec 16 11:36:51 UTC 2023 , Edited by admin on Sat Dec 16 11:36:51 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE