SB-406725 Hydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H22Cl2N2O3.ClH
Molecular Weight	457.778
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC(C)OC1=C(C=C(C=C1)C(=O)NC2=CC(Cl)=C3CCNCC3=C2Cl)C(C)=O

InChI

InChIKey=ZPPZETVPCOBTOR-UHFFFAOYSA-N

InChI=1S/C21H22Cl2N2O3.ClH/c1-11(2)28-19-5-4-13(8-15(19)12(3)26)21(27)25-18-9-17(22)14-6-7-24-10-16(14)20(18)23;/h4-5,8-9,11,24H,6-7,10H2,1-3H3,(H,25,27);1H

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	C21H22Cl2N2O3
Molecular Weight	421.317
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 `Tue Apr 01 16:38:10 GMT 2025` Edited by `admin` on `Tue Apr 01 16:38:10 GMT 2025`
Record UNII	FF38DK5DRB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

406725

Preferred Name

English

SB-406725 Hydrochloride

Code

English

3-ACETYL-N-(5,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-4-ISOPROPOXY-BENZAMIDE HYDROCHLORIDE

Systematic Name

English

SB-406725A

Code

English

BENZAMIDE, 3-ACETYL-N-(5,8-DICHLORO-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL)-4-(1-METHYLETHOXY)-, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

162368383

Created by admin on Tue Apr 01 16:38:10 GMT 2025 , Edited by admin on Tue Apr 01 16:38:10 GMT 2025

PRIMARY

FDA UNII

FF38DK5DRB

Created by admin on Tue Apr 01 16:38:10 GMT 2025 , Edited by admin on Tue Apr 01 16:38:10 GMT 2025

PRIMARY

CAS

1198775-31-3

Created by admin on Tue Apr 01 16:38:10 GMT 2025 , Edited by admin on Tue Apr 01 16:38:10 GMT 2025

PRIMARY

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ACTIVE MOIETY

Comments:

SB-406725A is an anticonvulsant lead for the treatment of epilepsy, migraine, and neuropathic pain. Major challenges in the large-scale synthesis of SB-406725A centered on the nitration of isoquinoline C and the selective reduction of the nitro group and the heterocyclic ring in D without simultaneous dechlorination.

Amount: