AP-521

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H18N2O3S.ClH
Molecular Weight	402.894
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.O=C(NCC1=CC2=C(OCO2)C=C1)[C@H]3CC4=C(CN3)SC5=C4C=CC=C5

InChI

InChIKey=IPRJDKMLMDPMBH-XFULWGLBSA-N

InChI=1S/C20H18N2O3S.ClH/c23-20(22-9-12-5-6-16-17(7-12)25-11-24-16)15-8-14-13-3-1-2-4-18(13)26-19(14)10-21-15;/h1-7,15,21H,8-11H2,(H,22,23);1H/t15-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C20H18N2O3S
Molecular Weight	366.434
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:48:21 GMT 2025` Edited by `admin` on `Wed Apr 02 12:48:21 GMT 2025`
Record UNII	NSJ3F39ZYP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AP521

Preferred Name

English

AP-521

Code

English

(4R)-N-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-8-THIA-5-AZATRICYCLO(7.4.0.0(2,7))TRIDECA-1(9),2(7),10,12-TETRAENE-4-CARBOXAMIDE HYDROCHLORIDE

Systematic Name

English

(1)BENZOTHIENO(2,3-C)PYRIDINE-3-CARBOXAMIDE, N-(1,3-BENZODIOXOL-5-YLMETHYL)-1,2,3,4-TETRAHYDRO-, MONOHYDROCHLORIDE, (3R)-

Systematic Name

English

(1)BENZOTHIENO(2,3-C)PYRIDINE-3-CARBOXAMIDE, N-(1,3-BENZODIOXOL-5-YLMETHYL)-1,2,3,4-TETRAHYDRO-, MONOHYDROCHLORIDE, (R)-

Common Name

English

Code System Code Type Description

MANUFACTURER PRODUCT INFORMATION

AP-521

Created by admin on Wed Apr 02 12:48:21 GMT 2025 , Edited by admin on Wed Apr 02 12:48:21 GMT 2025

PRIMARY

CAS

151227-08-6

Created by admin on Wed Apr 02 12:48:21 GMT 2025 , Edited by admin on Wed Apr 02 12:48:21 GMT 2025

PRIMARY

PUBCHEM

9887401

Created by admin on Wed Apr 02 12:48:21 GMT 2025 , Edited by admin on Wed Apr 02 12:48:21 GMT 2025

PRIMARY

FDA UNII

NSJ3F39ZYP

Created by admin on Wed Apr 02 12:48:21 GMT 2025 , Edited by admin on Wed Apr 02 12:48:21 GMT 2025

PRIMARY

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