Ro-04-6790 dihydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16N6O2S.2ClH
Molecular Weight	381.281
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.CNC1=NC(NC)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1

InChI

InChIKey=QOAXXMSJHQHSFV-UHFFFAOYSA-N

InChI=1S/C12H16N6O2S.2ClH/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9;;/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18);2*1H

HIDE SMILES / InChI

Molecular Formula	C12H16N6O2S
Molecular Weight	308.359
Charge	0
Count

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

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Serotonin 6 (5-HT6) receptor 44 Target ID: CHEMBL3371 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9647481	Antagonist 2849		7.26 null [pKi]

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:03:09 GMT 2025` Edited by `admin` on `Wed Apr 02 15:03:09 GMT 2025`
Record UNII	62FNF49JN8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ro-04-6790 dihydrochloride

Common Name

English

4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide dihydrochloride

Preferred Name

English

Benzenesulfonamide, 4-amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]-, hydrochloride (1:2)

Systematic Name

English

Code System Code Type Description

FDA UNII

62FNF49JN8

Created by admin on Wed Apr 02 15:03:09 GMT 2025 , Edited by admin on Wed Apr 02 15:03:09 GMT 2025

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EPA CompTox

DTXSID401017563

Created by admin on Wed Apr 02 15:03:09 GMT 2025 , Edited by admin on Wed Apr 02 15:03:09 GMT 2025

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CAS

1197333-95-1

Created by admin on Wed Apr 02 15:03:09 GMT 2025 , Edited by admin on Wed Apr 02 15:03:09 GMT 2025

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PUBCHEM

11957681

Created by admin on Wed Apr 02 15:03:09 GMT 2025 , Edited by admin on Wed Apr 02 15:03:09 GMT 2025

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Ro-04-6790

PARENT -> SALT/SOLVATE

Amount: