ZETELETINIB ADIPATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C25H23F3N4O4.C6H10O4
Molecular Weight	1147.0807
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCCCC(O)=O.COC1=CC2=C(C=C1OC)N=CC(=C2)C3=CC=C(CC(=O)NC4=CC(=NO4)C(C)(C)C(F)(F)F)C=N3.COC5=CC6=C(C=C5OC)N=CC(=C6)C7=CC=C(CC(=O)NC8=CC(=NO8)C(C)(C)C(F)(F)F)C=N7

InChI

InChIKey=KIKHVJAFGVCFGH-UHFFFAOYSA-N

InChI=1S/2C25H23F3N4O4.C6H10O4/c2*1-24(2,25(26,27)28)21-11-23(36-32-21)31-22(33)7-14-5-6-17(29-12-14)16-8-15-9-19(34-3)20(35-4)10-18(15)30-13-16;7-5(8)3-1-2-4-6(9)10/h2*5-6,8-13H,7H2,1-4H3,(H,31,33);1-4H2,(H,7,8)(H,9,10)

HIDE SMILES / InChI

Molecular Formula	C25H23F3N4O4
Molecular Weight	500.4697
Charge	0
Count

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

Molecular Formula	C6H10O4
Molecular Weight	146.1412
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 `Sat Dec 16 14:47:00 UTC 2023` Edited by `admin` on `Sat Dec 16 14:47:00 UTC 2023`
Record UNII	EW27AA6XBH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZETELETINIB ADIPATE

Official Name

English

2-(6-(6,7-DIMETHOXYQUINOLIN-3-YL)PYRIDINE-3-YL))-N-(3-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)-1,2-OXAZOL-5-YL)ACETAMIDE-HEXANEDIOIC ACID (2/1)

Systematic Name

English

ZETELETINIB HEMIADIPATE

Common Name

English

BOS172738 ADIPATE

Code

English

DS-5010

Code

English

DS5010

Code

English

2-(6-(6,7-DIMETHOXYQUINOLIN-3-YL)PYRIDIN-3-YL)-N-(3-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-5-YL)ACETAMIDE, ADIPIC ACID (1:2)

Systematic Name

English

ZETELETINIB ADIPATE [USAN]

Common Name

English

HEXANEDIOIC ACID, COMPD. WITH 6-(6,7-DIMETHOXY-3-QUINOLINYL)-N-(3-(2,2,2-TRIFLUORO-1,1-DIMETHYLETHYL)-5-ISOXAZOLYL)-3-PYRIDINEACETAMIDE (1:2)

Common Name

English

BOS172738 HEMIADIPATE

Code

English

BOS-172738 ADIPATE

Code

English

Code System Code Type Description

PUBCHEM

155801569