LP-951757

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H19ClF3N5O3
Molecular Weight	517.888
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=NN(C=C1)C2=C(C=CC(Cl)=C2)[C@@H](OC3=NC(N)=NC(=C3)C4=CC=C(CC(O)=O)C=C4)C(F)(F)F

InChI

InChIKey=ZGZMLQJPFMQRKB-JOCHJYFZSA-N

InChI=1S/C24H19ClF3N5O3/c1-13-8-9-33(32-13)19-11-16(25)6-7-17(19)22(24(26,27)28)36-20-12-18(30-23(29)31-20)15-4-2-14(3-5-15)10-21(34)35/h2-9,11-12,22H,10H2,1H3,(H,34,35)(H2,29,30,31)/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H19ClF3N5O3
Molecular Weight	517.888
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:39:46 UTC 2023` Edited by `admin` on `Sat Dec 16 13:39:46 UTC 2023`
Record UNII	G2KAQ22E7R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

LP-951757

Code

English

BENZENEACETIC ACID, 4-(2-AMINO-6-((1R)-1-(4-CHLORO-2-(3-METHYL-1H-PYRAZOL-1-YL)PHENYL)-2,2,2-TRIFLUOROETHOXY)-4-PYRIMIDINYL)-

Systematic Name

English

ACID METABOLITE OF OXIDATIVE DEAMINATED DECARBOXYLATED LX1033

Common Name

English

ACID METABOLITE OF OXIDATIVE DEAMINATED DECARBOXYLATED TELOTRISTAT

Common Name

English

(R)-2-(4-(2-AMINO-6-(1-(4-CHLORO-2-(3-METHYL-1H-PYRAZOL-1-YL)PHENYL)-2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-4-YL)PHENYL)ACETIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

118798862

Created by admin on Sat Dec 16 13:39:46 UTC 2023 , Edited by admin on Sat Dec 16 13:39:46 UTC 2023

PRIMARY

FDA UNII

G2KAQ22E7R

Created by admin on Sat Dec 16 13:39:46 UTC 2023 , Edited by admin on Sat Dec 16 13:39:46 UTC 2023

PRIMARY

CAS

1956435-42-9

Created by admin on Sat Dec 16 13:39:46 UTC 2023 , Edited by admin on Sat Dec 16 13:39:46 UTC 2023

PRIMARY

Related Record Type Details


					8G388563M7

TELOTRISTAT ETHYL

PARENT -> METABOLITE INACTIVE