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Details

Stereochemistry ACHIRAL
Molecular Formula C22H25FN4O2.H3O4P
Molecular Weight 494.4531
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TOCERANIB PHOSPHATE

SMILES

OP(O)(O)=O.CC1=C(C(=O)NCCN2CCCC2)C(C)=C(N1)\C=C3/C(=O)NC4=CC=C(F)C=C34

InChI

InChIKey=AOORBROPMMRREB-HBPAQXCTSA-N
InChI=1S/C22H25FN4O2.H3O4P/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27;1-5(2,3)4/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28);(H3,1,2,3,4)/b17-12-;

HIDE SMILES / InChI

Approval Year

Name Type Language
TOCERANIB PHOSPHATE
MI   USAN  
USAN  
Official Name English
TOCERANIB PHOSPHATE [GREEN BOOK]
Common Name English
(Z)-5-((5-FLUORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-N-(2-PYRROLIDIN-1-YLETHYL)-1H-PYRROLE-3-CARBOXAMIDE PHOSPHATE
Systematic Name English
1H-PYRROLE-3-CARBOXAMIDE, 5-((Z)-(5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-N-(2-(1-PYRROLIDINYL)ETHYL)-, PHOSPHATE (1:1)
Systematic Name English
5-[(Z)-(5-Fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide phosphate (1:1)
Systematic Name English
PHA-291639E
Code English
TOCERANIB PHOSPHATE [USAN]
Common Name English
TOCERANIB PHOSPHATE [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1967
Created by admin on Fri Dec 15 16:10:39 UTC 2023 , Edited by admin on Fri Dec 15 16:10:39 UTC 2023
Code System Code Type Description
FDA UNII
24F9PF7J3R
Created by admin on Fri Dec 15 16:10:39 UTC 2023 , Edited by admin on Fri Dec 15 16:10:39 UTC 2023
PRIMARY
ChEMBL
CHEMBL13608
Created by admin on Fri Dec 15 16:10:39 UTC 2023 , Edited by admin on Fri Dec 15 16:10:39 UTC 2023
PRIMARY
PUBCHEM
16034840
Created by admin on Fri Dec 15 16:10:39 UTC 2023 , Edited by admin on Fri Dec 15 16:10:39 UTC 2023
PRIMARY
NCI_THESAURUS
C80871
Created by admin on Fri Dec 15 16:10:39 UTC 2023 , Edited by admin on Fri Dec 15 16:10:39 UTC 2023
PRIMARY
USAN
TT-48
Created by admin on Fri Dec 15 16:10:39 UTC 2023 , Edited by admin on Fri Dec 15 16:10:39 UTC 2023
PRIMARY
SMS_ID
300000023778
Created by admin on Fri Dec 15 16:10:39 UTC 2023 , Edited by admin on Fri Dec 15 16:10:39 UTC 2023
PRIMARY
MESH
C464577
Created by admin on Fri Dec 15 16:10:39 UTC 2023 , Edited by admin on Fri Dec 15 16:10:39 UTC 2023
PRIMARY
CAS
874819-74-6
Created by admin on Fri Dec 15 16:10:39 UTC 2023 , Edited by admin on Fri Dec 15 16:10:39 UTC 2023
PRIMARY
MERCK INDEX
m10920
Created by admin on Fri Dec 15 16:10:39 UTC 2023 , Edited by admin on Fri Dec 15 16:10:39 UTC 2023
PRIMARY Merck Index
DAILYMED
24F9PF7J3R
Created by admin on Fri Dec 15 16:10:39 UTC 2023 , Edited by admin on Fri Dec 15 16:10:39 UTC 2023
PRIMARY
RXCUI
1145944
Created by admin on Fri Dec 15 16:10:39 UTC 2023 , Edited by admin on Fri Dec 15 16:10:39 UTC 2023
PRIMARY RxNorm