DU-1302

Details

Stereochemistry	MIXED
Molecular Formula	C27H36ClN3O3.2C6H8O7
Molecular Weight	870.293
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.OC(=O)CC(O)(CC(O)=O)C(O)=O.CC(C)C1=CC2OC3(CCC(CC3)NCCNC4=CC=NC5=CC(Cl)=CC=C45)OOC2(C)CC1

InChI

InChIKey=INIWGNQYDIOLQF-UHFFFAOYSA-N

InChI=1S/C27H36ClN3O3.2C6H8O7/c1-18(2)19-6-10-26(3)25(16-19)32-27(34-33-26)11-7-21(8-12-27)29-14-15-31-23-9-13-30-24-17-20(28)4-5-22(23)24;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,9,13,16-18,21,25,29H,6-8,10-12,14-15H2,1-3H3,(H,30,31);2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C6H8O7
Molecular Weight	192.1235
Charge	0
Count

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

Molecular Formula	C27H36ClN3O3
Molecular Weight	486.046
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:00:11 GMT 2023` Edited by `admin` on `Sat Dec 16 09:00:11 GMT 2023`
Record UNII	JGB4GN1J78
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DU-1302

Common Name

English

1,2-ETHANEDIAMINE, N-(7-CHLORO-4-QUINOLINYL)-N'-(4A,7,8,8A-TETRAHYDRO-8A-METHYL-6-(1-METHYLETHYL)SPIRO(1,2,4-BENZOTRIOXIN-3,1'-CYCLOHEXAN)-4'-YL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:2)

Systematic Name

English

1,2-ETHANEDIAMINE, N1-(7-CHLORO-4-QUINOLINYL)-N2-(4A,7,8,8A-TETRAHYDRO-8A-METHYL-6-(1-METHYLETHYL)SPIRO(1,2,4-BENZOTRIOXIN-3,1'-CYCLOHEXAN)-4'-YL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:2)

Systematic Name

English

Code System Code Type Description

PUBCHEM

72941812

Created by admin on Sat Dec 16 09:00:11 GMT 2023 , Edited by admin on Sat Dec 16 09:00:11 GMT 2023

PRIMARY

FDA UNII

JGB4GN1J78

Created by admin on Sat Dec 16 09:00:11 GMT 2023 , Edited by admin on Sat Dec 16 09:00:11 GMT 2023

PRIMARY

CAS

367279-40-1

Created by admin on Sat Dec 16 09:00:11 GMT 2023 , Edited by admin on Sat Dec 16 09:00:11 GMT 2023

PRIMARY

Related Record Type Details


					8761E54RFF

DU-1302 FREE BASE

ACTIVE MOIETY