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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29N3O5
Molecular Weight 463.5256
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIETHYLAMINOPRETADALAFIL

SMILES

CCN(CC)CC(=O)N1[C@H](CC2=C(NC3=C2C=CC=C3)[C@H]1C4=CC5=C(OCO5)C=C4)C(=O)OC

InChI

InChIKey=KPRMGANNVYQXIC-CJFMBICVSA-N
InChI=1S/C26H29N3O5/c1-4-28(5-2)14-23(30)29-20(26(31)32-3)13-18-17-8-6-7-9-19(17)27-24(18)25(29)16-10-11-21-22(12-16)34-15-33-21/h6-12,20,25,27H,4-5,13-15H2,1-3H3/t20-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H29N3O5
Molecular Weight 463.5256
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:27:11 GMT 2023
Edited
by admin
on Sat Dec 16 10:27:11 GMT 2023
Record UNII
215UZS4TRH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIETHYLAMINOPRETADALAFIL
Common Name English
1H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID, 1-(1,3-BENZODIOXOL-5-YL)-2-(2-(DIETHYLAMINO)ACETYL)-2,3,4,9-TETRAHYDRO-, METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
117587574
Created by admin on Sat Dec 16 10:27:11 GMT 2023 , Edited by admin on Sat Dec 16 10:27:11 GMT 2023
PRIMARY
FDA UNII
215UZS4TRH
Created by admin on Sat Dec 16 10:27:11 GMT 2023 , Edited by admin on Sat Dec 16 10:27:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID001103231
Created by admin on Sat Dec 16 10:27:11 GMT 2023 , Edited by admin on Sat Dec 16 10:27:11 GMT 2023
PRIMARY
CAS
1588526-67-3
Created by admin on Sat Dec 16 10:27:11 GMT 2023 , Edited by admin on Sat Dec 16 10:27:11 GMT 2023
PRIMARY