ENMD-2076

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H25N7.C4H6O6
Molecular Weight	525.5569
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCN(CC1)C2=CC(NC3=NNC(C)=C3)=NC(\C=C\C4=CC=CC=C4)=N2

InChI

InChIKey=KGWWHPZQLVVAPT-STTJLUEPSA-N

InChI=1S/C21H25N7.C4H6O6/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17;5-1(3(7)8)2(6)4(9)10/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26);1-2,5-6H,(H,7,8)(H,9,10)/b9-8+;/t;1-,2-/m.1/s1

HIDE SMILES / InChI

Molecular Formula	C4H6O6
Molecular Weight	150.0868
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C21H25N7
Molecular Weight	375.4701
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 18:09:11 UTC 2023` Edited by `admin` on `Fri Dec 15 18:09:11 UTC 2023`
Record UNII	KXQ762CQTH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENMD-2076

Common Name

English

ENMD 2076 [WHO-DD]

Common Name

English

L-(+) TARTRATE SALT OF ENMD-981693

Code

English

4-PYRIMIDINAMINE, 6-(4-METHYL-1-PIPERAZINYL)-N-(5-METHYL-1H-PYRAZOL-3-YL)-2-((1E)-2-PHENYLETHENYL)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1)

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

270408