VA-111913 TOSYLATE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H21ClFN5O2.C7H8O3S
Molecular Weight	626.098
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.CN2N=CC3=C2NC4=CC(Cl)=CC=C4N(C3)C(=O)C5=CC=C(CNC(=O)C6CC6)C(F)=C5

InChI

InChIKey=DMHLXBPDTVZRQU-UHFFFAOYSA-N

InChI=1S/C23H21ClFN5O2.C7H8O3S/c1-29-21-16(11-27-29)12-30(20-7-6-17(24)9-19(20)28-21)23(32)14-4-5-15(18(25)8-14)10-26-22(31)13-2-3-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,11,13,28H,2-3,10,12H2,1H3,(H,26,31);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	C23H21ClFN5O2
Molecular Weight	453.897
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:27:56 GMT 2023` Edited by `admin` on `Sat Dec 16 10:27:56 GMT 2023`
Record UNII	813T1H5KZB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VA-111913 TOSYLATE

Code

English

CYCLOPROPANECARBOXAMIDE, N-((4-((8-CHLORO-4,10-DIHYDRO-1-METHYLPYRAZOLO(3,4-B)(1,5)BENZODIAZEPIN-5(1H)-YL)CARBONYL)-2-FLUOROPHENYL)METHYL)-, 4-METHYLBENZENESULFONATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

135565015

Created by admin on Sat Dec 16 10:27:56 GMT 2023 , Edited by admin on Sat Dec 16 10:27:56 GMT 2023

PRIMARY

FDA UNII

813T1H5KZB

Created by admin on Sat Dec 16 10:27:56 GMT 2023 , Edited by admin on Sat Dec 16 10:27:56 GMT 2023

PRIMARY

CAS

1334519-42-4

Created by admin on Sat Dec 16 10:27:56 GMT 2023 , Edited by admin on Sat Dec 16 10:27:56 GMT 2023

NON-SPECIFIC STOICHIOMETRY

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