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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H26ClN7O3.2C6H6O3S
Molecular Weight 800.301
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AVANAFIL DIBESYLATE

SMILES

OS(=O)(=O)C1=CC=CC=C1.OS(=O)(=O)C2=CC=CC=C2.COC3=CC=C(CNC4=C(C=NC(=N4)N5CCC[C@H]5CO)C(=O)NCC6=NC=CC=N6)C=C3Cl

InChI

InChIKey=DTNQLMYRSLBWLF-SQKCAUCHSA-N
InChI=1S/C23H26ClN7O3.2C6H6O3S/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32;2*7-10(8,9)6-4-2-1-3-5-6/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30);2*1-5H,(H,7,8,9)/t16-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
AVANAFIL DIBESYLATE
Common Name English
5-PYRIMIDINECARBOXAMIDE, 4-(((3-CHLORO-4-METHOXYPHENYL)METHYL)AMINO)-2-((2S)-2-(HYDROXYMETHYL)-1-PYRROLIDINYL)-N-(2-PYRIMIDINYLMETHYL)-, BENZENESULFONATE (1:2)
Systematic Name English
AVANAFIL DIBENZENESULFONATE (SALT)
Common Name English
AVANAFIL DIBENZENESULFONATE
MI  
Common Name English
AVANAFIL DIBESILATE
Common Name English
AVANAFIL DIBENZENESULFONATE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m2145
Created by admin on Sat Dec 16 08:59:59 GMT 2023 , Edited by admin on Sat Dec 16 08:59:59 GMT 2023
PRIMARY Merck Index
FDA UNII
4NIU4R914C
Created by admin on Sat Dec 16 08:59:59 GMT 2023 , Edited by admin on Sat Dec 16 08:59:59 GMT 2023
PRIMARY
PUBCHEM
87800810
Created by admin on Sat Dec 16 08:59:59 GMT 2023 , Edited by admin on Sat Dec 16 08:59:59 GMT 2023
PRIMARY
CAS
330784-48-0
Created by admin on Sat Dec 16 08:59:59 GMT 2023 , Edited by admin on Sat Dec 16 08:59:59 GMT 2023
PRIMARY