ELZASONAN CITRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H23Cl2N3OS.C6H8O7
Molecular Weight	640.532
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1CCN(CC1)C2=CC=CC=C2\C=C3/SCCN(C3=O)C4=CC=C(Cl)C(Cl)=C4

InChI

InChIKey=FIXQLYVNGQBUAP-UXTSPRGOSA-N

InChI=1S/C22H23Cl2N3OS.C6H8O7/c1-25-8-10-26(11-9-25)20-5-3-2-4-16(20)14-21-22(28)27(12-13-29-21)17-6-7-18(23)19(24)15-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7,14-15H,8-13H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b21-14-;

HIDE SMILES / InChI

Molecular Formula	C22H23Cl2N3OS
Molecular Weight	448.409
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:35:17 UTC 2023` Edited by `admin` on `Fri Dec 15 15:35:17 UTC 2023`
Record UNII	67JE11VN82
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELZASONAN CITRATE

Official Name

English

CP-448,187-10

Code

English

(2Z)-4-(3,4-Dichlorphenyl)-2-[2-(4-methylpiperazin-1-yl)benzylidene]thiomorpholin-3-one citrate (1:1)

Common Name

English

CP-448187-10

Code

English

ELZASONAN CITRATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66885