INE-963 ADIPATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C19H26N6O2S.C6H10O4
Molecular Weight	951.169
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCCCC(O)=O.COC1=C(C=CC(=N1)C(C)C)C2=CN=C3SC(=NN23)N4CCC(O)(CN)CC4.COC5=C(C=CC(=N5)C(C)C)C6=CN=C7SC(=NN67)N8CCC(O)(CN)CC8

InChI

InChIKey=GENHJKZJVORAFU-UHFFFAOYSA-N

InChI=1S/2C19H26N6O2S.C6H10O4/c2*1-12(2)14-5-4-13(16(22-14)27-3)15-10-21-17-25(15)23-18(28-17)24-8-6-19(26,11-20)7-9-24;7-5(8)3-1-2-4-6(9)10/h2*4-5,10,12,26H,6-9,11,20H2,1-3H3;1-4H2,(H,7,8)(H,9,10)

HIDE SMILES / InChI

Molecular Formula	C6H10O4
Molecular Weight	146.1412
Charge	0
Count

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

Molecular Formula	C19H26N6O2S
Molecular Weight	402.514
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 `Wed Apr 02 19:15:58 GMT 2025` Edited by `admin` on `Wed Apr 02 19:15:58 GMT 2025`
Record UNII	XY3Y3H7HRV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

INE-963 ADIPATE

Common Name

English

INE963 ADIPATE

Preferred Name

English

Hexanedioic acid, compd. with 4-(aminomethyl)-1-[5-[2-methoxy-6-(1-methylethyl)-3-pyridinyl]imidazo[2,1-b]-1,3,4-thiadiazol-2-yl]-4-piperidinol (1:2)

Systematic Name

English

Code System Code Type Description

PUBCHEM

171390139

Created by admin on Wed Apr 02 19:15:58 GMT 2025 , Edited by admin on Wed Apr 02 19:15:58 GMT 2025

PRIMARY

FDA UNII

XY3Y3H7HRV

Created by admin on Wed Apr 02 19:15:58 GMT 2025 , Edited by admin on Wed Apr 02 19:15:58 GMT 2025

PRIMARY

CAS

2640567-44-6

Created by admin on Wed Apr 02 19:15:58 GMT 2025 , Edited by admin on Wed Apr 02 19:15:58 GMT 2025

PRIMARY

Related Record Type Details


					4HRQ96CC7C

INE-963

PARENT -> SALT/SOLVATE

Amount:

Related Record Type Details


					4HRQ96CC7C

INE-963

ACTIVE MOIETY

Comments:

Fast-killing potential of has been demonstrated. no viable parasites after 24 h (5 log reduction) which is comparable to or faster than artemisinin.

Amount: