ASULACRINE ISETHIONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H24N4O4S.C2H6O4S
Molecular Weight	590.668
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OCCS(O)(=O)=O.CNC(=O)C1=C2N=C3C(C)=CC=CC3=C(NC4=C(OC)C=C(NS(C)(=O)=O)C=C4)C2=CC=C1

InChI

InChIKey=MWXDBWAFWBSGFA-UHFFFAOYSA-N

InChI=1S/C24H24N4O4S.C2H6O4S/c1-14-7-5-8-16-21(14)27-23-17(9-6-10-18(23)24(29)25-2)22(16)26-19-12-11-15(13-20(19)32-3)28-33(4,30)31;3-1-2-7(4,5)6/h5-13,28H,1-4H3,(H,25,29)(H,26,27);3H,1-2H2,(H,4,5,6)

HIDE SMILES / InChI

Molecular Formula	C2H6O4S
Molecular Weight	126.132
Charge	0
Count

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

Molecular Formula	C24H24N4O4S
Molecular Weight	464.537
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 18:40:51 UTC 2023` Edited by `admin` on `Fri Dec 15 18:40:51 UTC 2023`
Record UNII	649R3P169I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASULACRINE ISETHIONATE

Common Name

English

NSC-343499

Code

English

ETHANESULFONIC ACID, 2-HYDROXY-, COMPD. WITH 9-((2-METHOXY-4-((METHYLSULFONYL)AMINO)PHENYL)AMINO)-N,5-DIMETHYL-4-ACRIDINECARBOXAMIDE (1:1)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C582