TOPIROXOSTAT TOSYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H8N6.C7H8O3S
Molecular Weight	420.444
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.N#CC2=NC=CC(=C2)C3=NNC(=N3)C4=CC=NC=C4

InChI

InChIKey=HCEPIFBYVFRGOI-UHFFFAOYSA-N

InChI=1S/C13H8N6.C7H8O3S/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-7H,(H,17,18,19);2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula	C13H8N6
Molecular Weight	248.2428
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:20:25 UTC 2023` Edited by `admin` on `Sat Dec 16 15:20:25 UTC 2023`
Record UNII	BT21GN8CE8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOPIROXOSTAT TOSYLATE

Common Name

English

2-PYRIDINECARBONITRILE, 4-(3-(4-PYRIDINYL)-1H-1,2,4-TRIAZOL-5-YL)-, 4-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

2-PYRIDINECARBONITRILE, 4-(5-(4-PYRIDINYL)-1H-1,2,4-TRIAZOL-3-YL)-, MONO(4-METHYLBENZENESULFONATE)

Systematic Name

English

TOPIROXOSTAT TOSYLATE [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m11864

Created by admin on Sat Dec 16 15:20:25 UTC 2023 , Edited by admin on Sat Dec 16 15:20:25 UTC 2023

PRIMARY

CAS

577778-88-2

Created by admin on Sat Dec 16 15:20:25 UTC 2023 , Edited by admin on Sat Dec 16 15:20:25 UTC 2023

PRIMARY

PUBCHEM

11327608

Created by admin on Sat Dec 16 15:20:25 UTC 2023 , Edited by admin on Sat Dec 16 15:20:25 UTC 2023

PRIMARY

FDA UNII

BT21GN8CE8

Created by admin on Sat Dec 16 15:20:25 UTC 2023 , Edited by admin on Sat Dec 16 15:20:25 UTC 2023

PRIMARY

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