PNU-101017 MALONATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C23H27ClN4O3.C3H4O4
Molecular Weight	547.0
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)=O.C[C@H]1CN(C[C@@H](C)N1)C(=O)C2=CC3=C(N=CN3C4=C2C=C(Cl)C=C4)C(=O)OC(C)(C)C

InChI

InChIKey=GJMDCEKJSXPEQR-KAECKJJSSA-N

InChI=1S/C23H27ClN4O3.C3H4O4/c1-13-10-27(11-14(2)26-13)21(29)17-9-19-20(22(30)31-23(3,4)5)25-12-28(19)18-7-6-15(24)8-16(17)18;4-2(5)1-3(6)7/h6-9,12-14,26H,10-11H2,1-5H3;1H2,(H,4,5)(H,6,7)/t13-,14+;

HIDE SMILES / InChI

Molecular Formula	C23H27ClN4O3
Molecular Weight	442.938
Charge	0
Count

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

Molecular Formula	C3H4O4
Molecular Weight	104.0615
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 `Mon Mar 31 21:26:19 GMT 2025` Edited by `admin` on `Mon Mar 31 21:26:19 GMT 2025`
Record UNII	Y64I47S8UV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PNU-101017 MALONATE

Code

English

PNU-101017 PROPANEDIOATE

Preferred Name

English

U-101017 MALONATE

Code

English

PROPANEDIOIC ACID, COMPD. WITH REL-1,1-DIMETHYLETHYL 7-CHLORO-5-(((3R,5S)-3,5-DIMETHYL-1-PIPERAZINYL)CARBONYL)IMIDAZO(1,5-A)QUINOLINE-4-14C-3-CARBOXYLATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

324527-60-8

Created by admin on Mon Mar 31 21:26:19 GMT 2025 , Edited by admin on Mon Mar 31 21:26:19 GMT 2025

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PUBCHEM

131801080

Created by admin on Mon Mar 31 21:26:19 GMT 2025 , Edited by admin on Mon Mar 31 21:26:19 GMT 2025

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FDA UNII

Y64I47S8UV

Created by admin on Mon Mar 31 21:26:19 GMT 2025 , Edited by admin on Mon Mar 31 21:26:19 GMT 2025

PRIMARY

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PNU-101017

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