AV-412

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H28ClFN6O.2C7H8O3S
Molecular Weight	851.405
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.CC2=CC=C(C=C2)S(O)(=O)=O.CN3CCN(CC3)C(C)(C)C#CC4=CC5=NC=NC(NC6=CC(Cl)=C(F)C=C6)=C5C=C4NC(=O)C=C

InChI

InChIKey=GTWJVFFZCKODEV-UHFFFAOYSA-N

InChI=1S/C27H28ClFN6O.2C7H8O3S/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32);2*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	C27H28ClFN6O
Molecular Weight	507.002
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 `Fri Dec 15 17:02:17 UTC 2023` Edited by `admin` on `Fri Dec 15 17:02:17 UTC 2023`
Record UNII	Z541VW0W40
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AV-412

Common Name

English

MP-412 DITOSYLATE

Code

English

MP 412 [WHO-DD]

Common Name

English

2-PROPENAMIDE, N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-(3-METHYL-3-(4-METHYL-1-PIPERAZINYL)-1-BUTYN-1-YL)-6-QUINAZOLINYL)-, 4-METHYLBENZENESULFONATE (1:2)

Common Name

English

MP-412

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C64627