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

Details

Stereochemistry UNKNOWN
Molecular Formula C29H34ClFN6O6S
Molecular Weight 649.133
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AFATINIB CYSTEINYL ACETATE

SMILES

CN(C)CC(CC(=O)NC1=CC2=C(C=C1O[C@H]3CCOC3)N=CN=C2NC4=CC(Cl)=C(F)C=C4)SC[C@H](NC(C)=O)C(O)=O

InChI

InChIKey=IOLFYXZPZPSEJP-VJIXTZNPSA-N
InChI=1S/C29H34ClFN6O6S/c1-16(38)34-25(29(40)41)14-44-19(12-37(2)3)9-27(39)36-24-10-20-23(11-26(24)43-18-6-7-42-13-18)32-15-33-28(20)35-17-4-5-22(31)21(30)8-17/h4-5,8,10-11,15,18-19,25H,6-7,9,12-14H2,1-3H3,(H,34,38)(H,36,39)(H,40,41)(H,32,33,35)/t18-,19?,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
AFATINIB CYSTEINYL ACETATE
Common Name English
AFATINIB METABOLITE M13
Common Name English
Code System Code Type Description
PUBCHEM
121489186
Created by admin on Sat Dec 16 10:16:46 GMT 2023 , Edited by admin on Sat Dec 16 10:16:46 GMT 2023
PRIMARY
FDA UNII
0T85FU1PUZ
Created by admin on Sat Dec 16 10:16:46 GMT 2023 , Edited by admin on Sat Dec 16 10:16:46 GMT 2023
PRIMARY