DU-1102

Details

Stereochemistry	MIXED
Molecular Formula	C34H34ClN3O3.2C6H8O7
Molecular Weight	952.352
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.ClC1=CC=C2C(NCCNC3CCC4(CC3)OOC5(CC(=CC5O4)C6=CC=CC=C6)C7=CC=CC=C7)=CC=NC2=C1

InChI

InChIKey=ZQKMYPACOGVMAD-UHFFFAOYSA-N

InChI=1S/C34H34ClN3O3.2C6H8O7/c35-27-11-12-29-30(15-18-37-31(29)22-27)38-20-19-36-28-13-16-33(17-14-28)39-32-21-25(24-7-3-1-4-8-24)23-34(32,41-40-33)26-9-5-2-6-10-26;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h1-12,15,18,21-22,28,32,36H,13-14,16-17,19-20,23H2,(H,37,38);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	C34H34ClN3O3
Molecular Weight	568.105
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 09:02:51 GMT 2023` Edited by `admin` on `Sat Dec 16 09:02:51 GMT 2023`
Record UNII	457LFY2K88
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DU-1102

Common Name

English

1,2-ETHANEDIAMINE, N-(7-CHLORO-4-QUINOLINYL)-N'-(4'A,7'A-DIHYDRO-6',7'A-DIPHENYLSPIRO(CYCLOHEXANE-1,3'-(7H)CYCLOPENTA(1,2,4)TRIOXIN)-4-YL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:2)

Systematic Name

English

1,2-ETHANEDIAMINE, N1-(4'A,7'A-DIHYDRO-6',7'A-DIPHENYLSPIRO(CYCLOHEXANE-1,3'-(7H)CYCLOPENTA(1,2,4)TRIOXIN)-4-YL)-N2-(7-CHLORO-4-QUINOLINYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:2)

Systematic Name

English

ODC-218

Code

English

Code System Code Type Description

CAS

324761-14-0

Created by admin on Sat Dec 16 09:02:51 GMT 2023 , Edited by admin on Sat Dec 16 09:02:51 GMT 2023

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PUBCHEM

10260290

Created by admin on Sat Dec 16 09:02:51 GMT 2023 , Edited by admin on Sat Dec 16 09:02:51 GMT 2023

PRIMARY

FDA UNII

457LFY2K88

Created by admin on Sat Dec 16 09:02:51 GMT 2023 , Edited by admin on Sat Dec 16 09:02:51 GMT 2023

PRIMARY

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