SPEBRUTINIB BESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H22FN5O3.C6H6O3S
Molecular Weight	581.615
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC=C1.COCCOC2=CC=C(NC3=NC=C(F)C(NC4=CC(NC(=O)C=C)=CC=C4)=N3)C=C2

InChI

InChIKey=ABSXPNGWJFAPRT-UHFFFAOYSA-N

InChI=1S/C22H22FN5O3.C6H6O3S/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2;7-10(8,9)6-4-2-1-3-5-6/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28);1-5H,(H,7,8,9)

HIDE SMILES / InChI

Molecular Formula	C6H6O3S
Molecular Weight	158.175
Charge	0
Count

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

Molecular Formula	C22H22FN5O3
Molecular Weight	423.4402
Charge	0
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 `Fri Dec 15 19:44:26 UTC 2023` Edited by `admin` on `Fri Dec 15 19:44:26 UTC 2023`
Record UNII	RC3ET192UJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPEBRUTINIB BESYLATE

Official Name

English

AVL-292 BESYLATE

Code

English

2-PROPENAMIDE, N-(3-((5-FLUORO-2-((4-(2-METHOXYETHOXY)PHENYL)AMINO)-4-PYRIMIDINYL)AMINO)PHENYL)-, BENZENESULFONATE (1:1)

Systematic Name

English

SPEBRUTINIB BESILATE

Common Name

English

Spebrutinib besilate [WHO-DD]

Common Name

English

CC-292 BESYLATE

Code

English

SPEBRUTINIB BESYLATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C124801