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Details

Stereochemistry UNKNOWN
Molecular Formula C29H34ClFN6O6S
Molecular Weight 649.1354
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AFATINIB CYSTEINYL ACETATE

SMILES

CC(=N[C@@]([H])(CSC([H])(CC(=Nc1cc2c(cc1O[C@@]3([H])CCOC3)ncnc2Nc4ccc(c(c4)Cl)F)O)CN(C)C)C(=O)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

Molecular Formula C29H34ClFN6O6S
Molecular Weight 649.1354
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:01:59 UTC 2021
Edited
by admin
on Sat Jun 26 11:01:59 UTC 2021
Record UNII
0T85FU1PUZ
Record Status Validated (UNII)
Record Version
  • Download
Related Record Type
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 Jun 26 11:01:59 UTC 2021 , Edited by admin on Sat Jun 26 11:01:59 UTC 2021
PRIMARY
FDA UNII
0T85FU1PUZ
Created by admin on Sat Jun 26 11:01:59 UTC 2021 , Edited by admin on Sat Jun 26 11:01:59 UTC 2021
PRIMARY
Related Record Type Details
SUB_CONCEPT->SUBSTANCE