U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H24F4N4O3.ClH
Molecular Weight 480.884
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RS-100975 MONOHYDROCHLORIDE

SMILES

Cl.CC1=CNC(=O)N(CCCN2CCN(CC2)C3=C(OCC(F)(F)F)C=C(F)C=C3)C1=O

InChI

InChIKey=MPDWQFBXAQFMOH-UHFFFAOYSA-N
InChI=1S/C20H24F4N4O3.ClH/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);1H

HIDE SMILES / InChI

Molecular Formula C20H24F4N4O3
Molecular Weight 444.4232
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
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 Thu Jul 06 19:27:28 UTC 2023
Edited
by admin
on Thu Jul 06 19:27:28 UTC 2023
Record UNII
KUW2W10HXN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RS-100975 MONOHYDROCHLORIDE
Code English
2,4(1H,3H)-PYRIMIDINEDIONE, 3-(3-(4-(4-FLUORO-2-(2,2,2-TRIFLUOROETHOXY)PHENYL)-1-PIPERAZINYL)PROPYL)-5-METHYL-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
KUW2W10HXN
Created by admin on Thu Jul 06 19:27:28 UTC 2023 , Edited by admin on Thu Jul 06 19:27:28 UTC 2023
PRIMARY
CAS
186384-62-3
Created by admin on Thu Jul 06 19:27:28 UTC 2023 , Edited by admin on Thu Jul 06 19:27:28 UTC 2023
PRIMARY
PUBCHEM
133082478
Created by admin on Thu Jul 06 19:27:28 UTC 2023 , Edited by admin on Thu Jul 06 19:27:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS