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

Details

Stereochemistry RACEMIC
Molecular Formula C19H23ClN4O3
Molecular Weight 390.864
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYCHLORODENAFIL

SMILES

CCCC1=NN(C)C2=C1NC(=NC2=O)C3=C(OCC)C=CC(=C3)C(O)CCl

InChI

InChIKey=QFQLUTUWAYYGSV-UHFFFAOYSA-N
InChI=1S/C19H23ClN4O3/c1-4-6-13-16-17(24(3)23-13)19(26)22-18(21-16)12-9-11(14(25)10-20)7-8-15(12)27-5-2/h7-9,14,25H,4-6,10H2,1-3H3,(H,21,22,26)

HIDE SMILES / InChI

Molecular Formula C19H23ClN4O3
Molecular Weight 390.864
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:25:09 GMT 2023
Edited
by admin
on Sat Dec 16 11:25:09 GMT 2023
Record UNII
4WZC8J1E8P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYCHLORODENAFIL
Common Name English
5-(5-(2-CHLORO-1-HYDROXYETHYL)-2-ETHOXYPHENYL)-1,6-DIHYDRO-1-METHYL-3-PROPYL-7H-PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE
Systematic Name English
HYDROXY CHLORODENAFIL
Common Name English
7H-PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE, 5-(5-(2-CHLORO-1-HYDROXYETHYL)-2-ETHOXYPHENYL)-1,6-DIHYDRO-1-METHYL-3-PROPYL-
Systematic Name English
Code System Code Type Description
FDA UNII
4WZC8J1E8P
Created by admin on Sat Dec 16 11:25:09 GMT 2023 , Edited by admin on Sat Dec 16 11:25:09 GMT 2023
PRIMARY
CAS
1391054-00-4
Created by admin on Sat Dec 16 11:25:09 GMT 2023 , Edited by admin on Sat Dec 16 11:25:09 GMT 2023
PRIMARY
PUBCHEM
136242372
Created by admin on Sat Dec 16 11:25:09 GMT 2023 , Edited by admin on Sat Dec 16 11:25:09 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY