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

Details

Stereochemistry ACHIRAL
Molecular Formula C34H34F2N4O6.2H3O4P
Molecular Weight 828.6441
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FORETINIB PHOSPHATE

SMILES

OP(O)(O)=O.OP(O)(O)=O.COC1=CC2=C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC5=CC=C(F)C=C5)C=C3F)C=CN=C2C=C1OCCCN6CCOCC6

InChI

InChIKey=PSMCUKNQAPSTHQ-UHFFFAOYSA-N
InChI=1S/C34H34F2N4O6.2H3O4P/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23;2*1-5(2,3)4/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42);2*(H3,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H3O4P
Molecular Weight 97.9952
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C34H34F2N4O6
Molecular Weight 632.6538
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 Fri Dec 15 15:34:36 UTC 2023
Edited
by admin
on Fri Dec 15 15:34:36 UTC 2023
Record UNII
IT5CLX2ZV6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FORETINIB PHOSPHATE
Common Name English
Code System Code Type Description
FDA UNII
IT5CLX2ZV6
Created by admin on Fri Dec 15 15:34:36 UTC 2023 , Edited by admin on Fri Dec 15 15:34:36 UTC 2023
PRIMARY
PUBCHEM
46189868
Created by admin on Fri Dec 15 15:34:37 UTC 2023 , Edited by admin on Fri Dec 15 15:34:37 UTC 2023
PRIMARY
CAS
1226999-07-0
Created by admin on Fri Dec 15 15:34:36 UTC 2023 , Edited by admin on Fri Dec 15 15:34:36 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE