DEBIO-1347 (S)-HYDROXYSUCCINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H16N6O.C4H6O5
Molecular Weight	490.4681
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DEBIO-1347 (S)-HYDROXYSUCCINATE

Structure Search

SMILES

O[C@@H](CC(O)=O)C(O)=O.CC1=NC2=C(N1)C=C(C=C2)N3N=CC(C(=O)C4=CC5=C(N4)C=CC=C5)=C3N

InChI

InChIKey=NPJXUVSDQSNORN-WNQIDUERSA-N

InChI=1S/C20H16N6O.C4H6O5/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18;5-2(4(8)9)1-3(6)7/h2-10,25H,21H2,1H3,(H,23,24);2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1

HIDE SMILES / InChI

Molecular Formula	C20H16N6O
Molecular Weight	356.3806
Charge	0
Count

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

Molecular Formula	C4H6O5
Molecular Weight	134.0874
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:54:43 UTC 2023` Edited by `admin` on `Sat Dec 16 01:54:43 UTC 2023`
Record UNII	2SMH8D25J8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEBIO-1347 (S)-HYDROXYSUCCINATE

Code

English

BUTANEDIOIC ACID, 2-HYDROXY-, (2S)-, COMPD. WITH (5-AMINO-1-(2-METHYL-1H-BENZIMIDAZOL-6-YL)-1H-PYRAZOL-4-YL)-1H-INDOL-2-YLMETHANONE (1:1)

Systematic Name

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/17/1916