PRADIGASTAT SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H23F3N3O2.Na
Molecular Weight	477.454
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[O-]C(=O)C[C@H]1CC[C@@H](CC1)C2=CC=C(C=C2)C3=CC=C(NC4=CC=C(N=C4)C(F)(F)F)C=N3

InChI

InChIKey=MUZRGKSNUTWRAF-BHQIMSFRSA-M

InChI=1S/C25H24F3N3O2.Na/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33;/h5-12,14-17,31H,1-4,13H2,(H,32,33);/q;+1/p-1/t16-,17-;

HIDE SMILES / InChI

Molecular Formula	C25H23F3N3O2
Molecular Weight	454.4642
Charge	-1
Count

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

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 00:14:07 UTC 2023` Edited by `admin` on `Sat Dec 16 00:14:07 UTC 2023`
Record UNII	X0EWE8TT2H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PRADIGASTAT SODIUM

Official Name

English

LCQ908A

Code

English

LCQ-908 SODIUM SALT

Common Name

English

PRADIGASTAT SODIUM [USAN]

Common Name

English

LCQ-908A

Common Name

English

LCQ-908-ABA

Code

English

LCQ908-ABA

Code

English

CYCLOHEXANEACETIC ACID, 4-(4-(5-((6-(TRIFLUOROMETHYL)-3-PYRIDINYL)AMINO)-2-PYRIDINYL)PHENYL)-, SODIUM SALT (1:1), TRANS-

Common Name

English

LCQ-908ABA

Code

English

Code System Code Type Description

CAS

956136-98-4