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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H33N7O5S.C6H6O3S
Molecular Weight 677.792
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GISADENAFIL BESYLATE

SMILES

OS(=O)(=O)C1=CC=CC=C1.CCOC2=NC=C(C=C2C3=NC4=C(CC)N(CCOC)N=C4C(=O)N3)S(=O)(=O)N5CCN(CC)CC5

InChI

InChIKey=STFRDYSZKVPPQF-UHFFFAOYSA-N
InChI=1S/C23H33N7O5S.C6H6O3S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29;7-10(8,9)6-4-2-1-3-5-6/h14-15H,5-13H2,1-4H3,(H,25,26,31);1-5H,(H,7,8,9)

HIDE SMILES / InChI

Molecular Formula C23H33N7O5S
Molecular Weight 519.617
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H6O3S
Molecular Weight 158.175
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:04:20 UTC 2023
Edited
by admin
on Fri Dec 15 16:04:20 UTC 2023
Record UNII
T4S08274OY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GISADENAFIL BESYLATE
USAN  
USAN  
Official Name English
5-(2-ETHOXY-5-((4-ETHYLPIPERAZIN-1-YL)SULPHONYL)PYRIDIN-3-YL)-3-ETHYL-2-(2-METHOXYETHYL)-2,6-DIHYDRO-7H-PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE BENZENESULPHONATE
Systematic Name English
7H-PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE, 5-(2-ETHOXY-5-((4-ETHYL-1-PIPERAZINYL)SULPHONYL)-3-PYRIDINYL)-3-ETHYL-2,6-DIHYDRO-2-(2-METHOXYETHYL)-, BENZENESULPHONATE (1:1)
Systematic Name English
UK-369003-26
Code English
5-{2-Ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]pyridin-3-yl}-3-ethyl-2-(2-methoxyethyl)-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one benzenesulfonate
Systematic Name English
GISADENAFIL BESYLATE [USAN]
Common Name English
UK-369,003-26
Code English
7H-PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE, 5-(2-ETHOXY-5-((4-ETHYL-1-PIPERAZINYL)SULFONYL)-3-PYRIDINYL)-3-ETHYL-2,6-DIHYDRO-2-(2-METHOXYETHYL)-, BENZENESULFONATE (1:1)
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C2127
Created by admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
Code System Code Type Description
PUBCHEM
135564628
Created by admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
PRIMARY
CAS
334827-98-4
Created by admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
PRIMARY
USAN
UU-145
Created by admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID20187125
Created by admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
PRIMARY
FDA UNII
T4S08274OY
Created by admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
PRIMARY
SMS_ID
300000044520
Created by admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
PRIMARY
ChEMBL
CHEMBL1928262
Created by admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
PRIMARY
NCI_THESAURUS
C83729
Created by admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY