Fanregratinib

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H33ClN6O2
Molecular Weight	509.043
Optical Activity	NONE
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC(=O)C1=CC(CCC2=CN=C(NC3=CC=C(C=C3)N4C[C@H](C)N[C@H](C)C4)N=C2)=C(Cl)C(OC)=C1

InChI

InChIKey=LVQABCJAWBLTAO-HDICACEKSA-N

InChI=1S/C27H33ClN6O2/c1-17-15-34(16-18(2)32-17)23-9-7-22(8-10-23)33-27-30-13-19(14-31-27)5-6-20-11-21(26(35)29-3)12-24(36-4)25(20)28/h7-14,17-18,32H,5-6,15-16H2,1-4H3,(H,29,35)(H,30,31,33)/t17-,18+

HIDE SMILES / InChI

Molecular Formula	C27H33ClN6O2
Molecular Weight	509.043
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:12:24 GMT 2025` Edited by `admin` on `Wed Apr 02 20:12:24 GMT 2025`
Record UNII	8RWL2B2CLS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Fanregratinib

Official Name

English

fanregratinib [INN]

Preferred Name

English

Benzamide, 4-chloro-3-[2-[2-[[4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl]amino]-5-pyrimidinyl]ethyl]-5-methoxy-N-methyl-, cis-

Systematic Name

English

cis-4-Chloro-3-[2-[2-[[4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl]amino]-5-pyrimidinyl]ethyl]-5-methoxy-N-methylbenzamide

Systematic Name

English

Benzamide, 4-chloro-3-[2-[2-[[4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl]amino]-5-pyrimidinyl]ethyl]-5-methoxy-N-methyl-, rel-

Systematic Name

English

rel-4-Chloro-3-[2-[2-[[4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]phenyl]amino]-5-pyrimidinyl]ethyl]-5-methoxy-N-methylbenzamide

Systematic Name

English

Code System Code Type Description

PUBCHEM

86304165