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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 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 C16H17N3OS
Molecular Weight 299.391
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Interactions of urate transporter URAT1 in human kidney with uricosuric drugs.
2011-02
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.
2009-10
Role of breast cancer resistance protein (Bcrp1/Abcg2) in the extrusion of glucuronide and sulfate conjugates from enterocytes to intestinal lumen.
2005-03
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.
2004-09
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:42:17 GMT 2025
Edited
by admin
on Mon Mar 31 23:42:17 GMT 2025
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)-, DIHYDROCHLORIDE
Preferred Name English
6-BENZOTHIAZOLOL, 5,7-DIMETHYL-2-(METHYLAMINO)-4-(3-PYRIDINYLMETHYL)-, HYDROCHLORIDE (1:2)
Systematic Name English
E-3040-DIHCL
Common Name English
Code System Code Type Description
FDA UNII
4QJN8G2JPY
Created by admin on Mon Mar 31 23:42:17 GMT 2025 , Edited by admin on Mon Mar 31 23:42:17 GMT 2025
PRIMARY
CAS
145314-18-7
Created by admin on Mon Mar 31 23:42:17 GMT 2025 , Edited by admin on Mon Mar 31 23:42:17 GMT 2025
PRIMARY
PUBCHEM
19044754
Created by admin on Mon Mar 31 23:42:17 GMT 2025 , Edited by admin on Mon Mar 31 23:42:17 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY