PF-05089771 TOSYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H12Cl2FN5O3S2.C7H8O3S
Molecular Weight	672.556
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.NC2=C(C=NN2)C3=CC(Cl)=CC=C3OC4=CC(F)=C(C=C4Cl)S(=O)(=O)NC5=CSC=N5

InChI

InChIKey=NVKBPDYKPNYMDR-UHFFFAOYSA-N

InChI=1S/C18H12Cl2FN5O3S2.C7H8O3S/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17;1-6-2-4-7(5-3-6)11(8,9)10/h1-8,26H,(H3,22,24,25);2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

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

Molecular Formula	C18H12Cl2FN5O3S2
Molecular Weight	500.354
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 01:53:44 UTC 2023` Edited by `admin` on `Sat Dec 16 01:53:44 UTC 2023`
Record UNII	NG8E748OWS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PF-05089771 TOSYLATE

Code

English

BENZENESULFONAMIDE, 4-(2-(3-AMINO-1H-PYRAZOL-4-YL)-4-CHLOROPHENOXY)-5-CHLORO-2-FLUORO-N-4-THIAZOLYL-, 4-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

71554187

Created by admin on Sat Dec 16 01:53:44 UTC 2023 , Edited by admin on Sat Dec 16 01:53:44 UTC 2023

PRIMARY

CAS

1430806-04-4

Created by admin on Sat Dec 16 01:53:44 UTC 2023 , Edited by admin on Sat Dec 16 01:53:44 UTC 2023

PRIMARY

FDA UNII

NG8E748OWS

Created by admin on Sat Dec 16 01:53:44 UTC 2023 , Edited by admin on Sat Dec 16 01:53:44 UTC 2023

PRIMARY

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ACTIVE MOIETY