APLINDORE FUMARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H18N2O3.C4H4O4
Molecular Weight	426.4193
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.O=C1CC2=C(N1)C=CC3=C2O[C@@H](CNCC4=CC=CC=C4)CO3

InChI

InChIKey=GELJVTSEGKGLDF-QDSMGTAFSA-N

InChI=1S/C18H18N2O3.C4H4O4/c21-17-8-14-15(20-17)6-7-16-18(14)23-13(11-22-16)10-19-9-12-4-2-1-3-5-12;5-3(6)1-2-4(7)8/h1-7,13,19H,8-11H2,(H,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C18H18N2O3
Molecular Weight	310.3471
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:55:35 UTC 2023` Edited by `admin` on `Fri Dec 15 15:55:35 UTC 2023`
Record UNII	P13TV5A758
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APLINDORE FUMARATE

Official Name

English

DAB-452

Code

English

8H-1,4-DIOXINO(2,3-E)INDOL-8-ONE, 2,3,7,9-TETRAHYDRO-2-(((PHENYLMETHYL)AMINO)METHYL)-, (2S)-, (2E)-2-BUTENEDIOTATE (1:1)

Common Name

English

(2S)-2-((BENZYLAMINO)METHYL)-2,3,7,9-TETRAHYDRO-8H-1,4-DIOXINO(2,3-E)INDOL-8-ONE (E)-BUTENEDIOATE (1:1)

Systematic Name

English

APLINDORE FUMARATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66884