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

Details

Stereochemistry ABSOLUTE
Molecular Formula C52H65N3O8P.F6P
Molecular Weight 1036.0257
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GAMITRINIB HEXAFLUOROPHOSPHATE

SMILES

F[P-](F)(F)(F)(F)F.CO[C@H]1C[C@H](C)CC2=C(NCCCCCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C=C(NC(=O)\C(C)=C\C=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O

InChI

InChIKey=NFIBTCZSRLMDOD-WLXHSWTPSA-O
InChI=1S/C52H64N3O8P.F6P/c1-35-31-42-47(54-29-18-7-8-19-30-64(39-22-12-9-13-23-39,40-24-14-10-15-25-40)41-26-16-11-17-27-41)44(56)34-43(49(42)58)55-51(59)36(2)21-20-28-45(61-5)50(63-52(53)60)38(4)33-37(3)48(57)46(32-35)62-6;1-7(2,3,4,5)6/h9-17,20-28,33-35,37,45-46,48,50,57H,7-8,18-19,29-32H2,1-6H3,(H3-,53,54,55,56,58,59,60);/q;-1/p+1/b28-20-,36-21+,38-33+;/t35-,37+,45+,46+,48-,50+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C52H65N3O8P
Molecular Weight 891.0616
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula F6P
Molecular Weight 144.9642
Charge -1
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 19:11:19 GMT 2023
Edited
by admin
on Sat Dec 16 19:11:19 GMT 2023
Record UNII
EPA976X5XY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GAMITRINIB HEXAFLUOROPHOSPHATE
Common Name English
17-DEMETHOXY-17-((6-(TRIPHENYLPHOSPHONIO)HEXYL)AMINO)GELDANAMYCIN HEXAFLUOROPHOSPHATE
Common Name English
GAMITRINIB TPP HEXAFLUOROPHOSPHATE
Common Name English
G-TPP HEXAFLUOROPHOSPHATE
Common Name English
GELDANAMYCIN, 17-DEMETHOXY-17-((6-(TRIPHENYLPHOSPHONIO)HEXYL)AMINO)-, HEXAFLUOROPHOSPHATE(1-) (1:1)
Common Name English
Code System Code Type Description
CAS
1131626-47-5
Created by admin on Sat Dec 16 19:11:20 GMT 2023 , Edited by admin on Sat Dec 16 19:11:20 GMT 2023
PRIMARY
FDA UNII
EPA976X5XY
Created by admin on Sat Dec 16 19:11:20 GMT 2023 , Edited by admin on Sat Dec 16 19:11:20 GMT 2023
PRIMARY
PUBCHEM
25232581
Created by admin on Sat Dec 16 19:11:20 GMT 2023 , Edited by admin on Sat Dec 16 19:11:20 GMT 2023
PRIMARY PUBCHEM
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY