SOTRASTAURIN ACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H22N6O2.C2H4O2
Molecular Weight	498.5331
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CN1CCN(CC1)C2=NC(C3=C(C(=O)NC3=O)C4=CNC5=C4C=CC=C5)=C6C=CC=CC6=N2

InChI

InChIKey=RVEUYBMXVVDLFO-UHFFFAOYSA-N

InChI=1S/C25H22N6O2.C2H4O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18;1-2(3)4/h2-9,14,26H,10-13H2,1H3,(H,29,32,33);1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula	C25H22N6O2
Molecular Weight	438.4812
Charge	0
Count

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

Molecular Formula	C2H4O2
Molecular Weight	60.052
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 16:29:29 UTC 2023` Edited by `admin` on `Fri Dec 15 16:29:29 UTC 2023`
Record UNII	R1SIA15KZ1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SOTRASTAURIN ACETATE

Official Name

English

1H-PYRROLE-2,5-DIONE, 3-(1H-INDOL-3-YL)-4-(2-(4-METHYL-1-PIPERAZINYL)-4-QUINAZOLINYL)-, ACETATE

Systematic Name

English

SOTRASTAURIN ACETATE [USAN]

Common Name

English

3-(1H-Indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione acetate

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2089