TOCERANIB PHOSPHATE

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 Search

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

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	C22H25FN4O2
Molecular Weight	396.4579
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:10:39 UTC 2023` Edited by `admin` on `Fri Dec 15 16:10:39 UTC 2023`
Record UNII	24F9PF7J3R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOCERANIB PHOSPHATE

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