ALISERTIB SODIUM ANHYDROUS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H19ClFN4O4.Na
Molecular Weight	540.905
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].COC1=CC(NC2=NC=C3CN=C(C4=CC(Cl)=CC=C4C3=N2)C5=C(OC)C=CC=C5F)=CC=C1C([O-])=O

InChI

InChIKey=AIUYVPGHBMKGAC-UHFFFAOYSA-M

InChI=1S/C27H20ClFN4O4.Na/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2;/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C27H19ClFN4O4
Molecular Weight	517.916
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 01:26:53 UTC 2023` Edited by `admin` on `Sat Dec 16 01:26:53 UTC 2023`
Record UNII	23KN826MQ4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALISERTIB SODIUM ANHYDROUS

Common Name

English

BENZOIC ACID, 4-((9-CHLORO-7-(2-FLUORO-6-METHOXYPHENYL)-5H-PYRIMIDO(5,4-D)(2)BENZAZEPIN-2-YL)AMINO)-2-METHOXY-, SODIUM SALT (1:1)

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

276309