MILCICLIB MALEATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H32N8O.C4H4O4
Molecular Weight	576.6467
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CNC(=O)C1=NN(C)C2=C1C(C)(C)CC3=C2N=C(NC4=CC=C(C=C4)N5CCN(C)CC5)N=C3

InChI

InChIKey=DGVCEXQFNYYRQI-BTJKTKAUSA-N

InChI=1S/C25H32N8O.C4H4O4/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33;5-3(6)1-2-4(7)8/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29);1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

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

Molecular Formula	C25H32N8O
Molecular Weight	460.5746
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 16:13:13 UTC 2023` Edited by `admin` on `Fri Dec 15 16:13:13 UTC 2023`
Record UNII	82W826FL6S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MILCICLIB MALEATE

Common Name

English

PHA-848125AC

Code

English

1H-PYRAZOLO(4,3-H)QUINAZOLINE-3-CARBOXAMIDE, 4,5-DIHYDRO-N,1,4,4-TETRAMETHYL-8-((4-(4-METHYL-1-PIPERAZINYL)PHENYL)AMINO)-, (2Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Milciclib maleate [WHO-DD]

Common Name

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/12/1059