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Details

Stereochemistry ACHIRAL
Molecular Formula C20H24F4N4O3
Molecular Weight 444.4239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RS-100975

SMILES

Cc1cnc(n(CCCN2CCN(CC2)c3ccc(cc3OCC(F)(F)F)F)c1=O)O

InChI

InChIKey=WEZFJPKJUIGDPS-UHFFFAOYSA-N
InChI=1S/C20H24F4N4O3/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)

HIDE SMILES / InChI

Molecular Formula C20H24F4N4O3
Molecular Weight 444.4239
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
In vitro alpha1-adrenoceptor pharmacology of Ro 70-0004 and RS-100329, novel alpha1A-adrenoceptor selective antagonists.
1999 May
Substance Class Chemical
Created
by admin
on Sat Jun 26 00:59:37 UTC 2021
Edited
by admin
on Sat Jun 26 00:59:37 UTC 2021
Record UNII
3AK2RKG763
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RS-100975
Code English
2,4(1H,3H)-PYRIMIDINEDIONE, 3-(3-(4-(4-FLUORO-2-(2,2,2-TRIFLUOROETHOXY)PHENYL)-1-PIPERAZINYL)PROPYL)-5-METHYL-
Systematic Name English
RO-700004
Code English
Code System Code Type Description
PUBCHEM
9872515
Created by admin on Sat Jun 26 00:59:37 UTC 2021 , Edited by admin on Sat Jun 26 00:59:37 UTC 2021
PRIMARY
CAS
186386-21-0
Created by admin on Sat Jun 26 00:59:37 UTC 2021 , Edited by admin on Sat Jun 26 00:59:37 UTC 2021
PRIMARY
FDA UNII
3AK2RKG763
Created by admin on Sat Jun 26 00:59:37 UTC 2021 , Edited by admin on Sat Jun 26 00:59:37 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
ANTAGONIST
Ki
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY