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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H18F3N3O3
Molecular Weight 417.3811
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INAXAPLIN

SMILES

O[C@@H]1CNC(=O)[C@H]1NC(=O)CCC2=C(NC3=C(F)C=C(F)C=C23)C4=CC=C(F)C=C4

InChI

InChIKey=CTXLPYZCBOVVQK-UZLBHIALSA-N
InChI=1S/C21H18F3N3O3/c22-11-3-1-10(2-4-11)18-13(14-7-12(23)8-15(24)19(14)27-18)5-6-17(29)26-20-16(28)9-25-21(20)30/h1-4,7-8,16,20,27-28H,5-6,9H2,(H,25,30)(H,26,29)/t16-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H18F3N3O3
Molecular Weight 417.3811
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:46:01 GMT 2023
Edited
by admin
on Sat Dec 16 14:46:01 GMT 2023
Record UNII
S2SJ2RVZ6Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INAXAPLIN
INN  
Official Name English
inaxaplin [INN]
Common Name English
Code System Code Type Description
SMS_ID
300000000085
Created by admin on Sat Dec 16 14:46:01 GMT 2023 , Edited by admin on Sat Dec 16 14:46:01 GMT 2023
PRIMARY
INN
11893
Created by admin on Sat Dec 16 14:46:01 GMT 2023 , Edited by admin on Sat Dec 16 14:46:01 GMT 2023
PRIMARY
FDA UNII
S2SJ2RVZ6Y
Created by admin on Sat Dec 16 14:46:01 GMT 2023 , Edited by admin on Sat Dec 16 14:46:01 GMT 2023
PRIMARY
PUBCHEM
147289591
Created by admin on Sat Dec 16 14:46:01 GMT 2023 , Edited by admin on Sat Dec 16 14:46:01 GMT 2023
PRIMARY
CAS
2446816-88-0
Created by admin on Sat Dec 16 14:46:01 GMT 2023 , Edited by admin on Sat Dec 16 14:46:01 GMT 2023
PRIMARY
NCI_THESAURUS
C184889
Created by admin on Sat Dec 16 14:46:01 GMT 2023 , Edited by admin on Sat Dec 16 14:46:01 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY