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Details

Stereochemistry ABSOLUTE
Molecular Formula C52H65N3O8P
Molecular Weight 891.0616
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of GAMITRINIB

SMILES

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=OAUJLFPWRFHSNE-FEHIUCOBSA-O
InChI=1S/C52H64N3O8P/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/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)/p+1/b28-20-,36-21+,38-33+/t35-,37+,45+,46+,48-,50+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GAMITRINIB
Common Name English
17-DEMETHOXY-17-((6-(TRIPHENYLPHOSPHONIO)HEXYL)AMINO)GELDANAMYCIN
Common Name English
GAMITRINIB TPP
Common Name English
GELDANAMYCIN, 17-DEMETHOXY-17-((6-(TRIPHENYLPHOSPHONIO)HEXYL)AMINO)-
Common Name English
G-TPP
Common Name English
Code System Code Type Description
FDA UNII
M6LC47TUG3
Created by admin on Sat Dec 16 19:11:19 GMT 2023 , Edited by admin on Sat Dec 16 19:11:19 GMT 2023
PRIMARY
PUBCHEM
25232582
Created by admin on Sat Dec 16 19:11:19 GMT 2023 , Edited by admin on Sat Dec 16 19:11:19 GMT 2023
PRIMARY PUBCHEM
NCI_THESAURUS
C180575
Created by admin on Sat Dec 16 19:11:19 GMT 2023 , Edited by admin on Sat Dec 16 19:11:19 GMT 2023
PRIMARY
CAS
1131626-46-4
Created by admin on Sat Dec 16 19:11:19 GMT 2023 , Edited by admin on Sat Dec 16 19:11:19 GMT 2023
PRIMARY