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Details

Stereochemistry ACHIRAL
Molecular Formula C16H17N3OS.2ClH
Molecular Weight 372.313
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of E-3040 DIHYDROCHLORIDE

SMILES

Cl.Cl.CNC1=NC2=C(S1)C(C)=C(O)C(C)=C2CC3=CN=CC=C3

InChI

InChIKey=VEAGQWIODJKCBG-UHFFFAOYSA-N
InChI=1S/C16H17N3OS.2ClH/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13;;/h4-6,8,20H,7H2,1-3H3,(H,17,19);2*1H

HIDE SMILES / InChI

Molecular Formula C16H17N3OS
Molecular Weight 299.391
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

PubMed

PubMed

TitleDatePubMed
Impaired renal excretion of 6-hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl) benzothiazole (E3040) sulfate in breast cancer resistance protein (BCRP1/ABCG2) knockout mice.
2004 Sep
Role of breast cancer resistance protein (Bcrp1/Abcg2) in the extrusion of glucuronide and sulfate conjugates from enterocytes to intestinal lumen.
2005 Mar
Construction of triple-transfected cells [organic anion-transporting polypeptide (OATP) 1B1/multidrug resistance-associated protein (MRP) 2/MRP3 and OATP1B1/MRP2/MRP4] for analysis of the sinusoidal function of MRP3 and MRP4.
2009 Oct
Interactions of urate transporter URAT1 in human kidney with uricosuric drugs.
2011 Feb
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:13:43 GMT 2023
Edited
by admin
on Sat Dec 16 11:13:43 GMT 2023
Record UNII
4QJN8G2JPY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
E-3040 DIHYDROCHLORIDE
Common Name English
6-BENZOTHIAZOLOL, 5,7-DIMETHYL-2-(METHYLAMINO)-4-(3-PYRIDINYLMETHYL)-, HYDROCHLORIDE (1:2)
Systematic Name English
6-BENZOTHIAZOLOL, 5,7-DIMETHYL-2-(METHYLAMINO)-4-(3-PYRIDINYLMETHYL)-, DIHYDROCHLORIDE
Common Name English
E-3040-DIHCL
Common Name English
Code System Code Type Description
FDA UNII
4QJN8G2JPY
Created by admin on Sat Dec 16 11:13:43 GMT 2023 , Edited by admin on Sat Dec 16 11:13:43 GMT 2023
PRIMARY
CAS
145314-18-7
Created by admin on Sat Dec 16 11:13:43 GMT 2023 , Edited by admin on Sat Dec 16 11:13:43 GMT 2023
PRIMARY
PUBCHEM
19044754
Created by admin on Sat Dec 16 11:13:43 GMT 2023 , Edited by admin on Sat Dec 16 11:13:43 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY