ZOLANTIDINE DIMALEATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H27N3OS.2C4H4O4
Molecular Weight	613.679
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.C(CNC1=NC2=C(S1)C=CC=C2)COC3=CC=CC(CN4CCCCC4)=C3

InChI

InChIKey=IECBEVAUEBZJCF-SPIKMXEPSA-N

InChI=1S/C22H27N3OS.2C4H4O4/c1-4-13-25(14-5-1)17-18-8-6-9-19(16-18)26-15-7-12-23-22-24-20-10-2-3-11-21(20)27-22;2*5-3(6)1-2-4(7)8/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H,23,24);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

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

Molecular Formula	C22H27N3OS
Molecular Weight	381.534
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 `Sat Dec 16 08:35:15 UTC 2023` Edited by `admin` on `Sat Dec 16 08:35:15 UTC 2023`
Record UNII	AL1YII70LM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZOLANTIDINE DIMALEATE

Common Name

English

2-BENZOTHIAZOLAMINE, N-(3-(3-(1-PIPERIDINYLMETHYL)PHENOXY)PROPYL)-, (2Z)-2-BUTENEDIOATE (1:2)

Systematic Name

English

N-(3-(3-(1-PIPERIDINYLMETHYL)PHENOXY)PROPYL)-2-BENZOTHIAZOLAMINE DIMALEATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

11957725

Created by admin on Sat Dec 16 08:35:15 UTC 2023 , Edited by admin on Sat Dec 16 08:35:15 UTC 2023

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CAS

104076-39-3

Created by admin on Sat Dec 16 08:35:15 UTC 2023 , Edited by admin on Sat Dec 16 08:35:15 UTC 2023

PRIMARY

FDA UNII

AL1YII70LM

Created by admin on Sat Dec 16 08:35:15 UTC 2023 , Edited by admin on Sat Dec 16 08:35:15 UTC 2023

PRIMARY

EPA CompTox

DTXSID7045811

Created by admin on Sat Dec 16 08:35:15 UTC 2023 , Edited by admin on Sat Dec 16 08:35:15 UTC 2023

PRIMARY

Related Record Type Details


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ZOLANTIDINE

ACTIVE MOIETY