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Details

Stereochemistry EPIMERIC
Molecular Formula C29H34ClN7O9
Molecular Weight 660.075
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R)-6-(((2S)-1-(4-((3-CHLORO-4-METHOXY-PHENYL)METHYLAMINO)-5-(PYRIMIDIN-2-YLMETHYLCARBAMOYL)PYRIMIDIN-2-YL)PYRROLIDIN-2-YL)METHOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

COC1=CC=C(CNC2=C(C=NC(=N2)N3CCC[C@H]3COC4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(=O)NCC5=NC=CC=N5)C=C1Cl

InChI

InChIKey=OQOAZIJKVMEJRB-HSGISQMFSA-N
InChI=1S/C29H34ClN7O9/c1-44-19-6-5-15(10-18(19)30)11-33-25-17(26(41)34-13-20-31-7-3-8-32-20)12-35-29(36-25)37-9-2-4-16(37)14-45-28-23(40)21(38)22(39)24(46-28)27(42)43/h3,5-8,10,12,16,21-24,28,38-40H,2,4,9,11,13-14H2,1H3,(H,34,41)(H,42,43)(H,33,35,36)/t16-,21-,22-,23+,24-,28?/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2S,3S,4S,5R)-6-(((2S)-1-(4-((3-CHLORO-4-METHOXY-PHENYL)METHYLAMINO)-5-(PYRIMIDIN-2-YLMETHYLCARBAMOYL)PYRIMIDIN-2-YL)PYRROLIDIN-2-YL)METHOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
AVANAFIL METABOLITE M12
Common Name English
Code System Code Type Description
PUBCHEM
165412006
Created by admin on Sat Dec 16 15:11:06 GMT 2023 , Edited by admin on Sat Dec 16 15:11:06 GMT 2023
PRIMARY
FDA UNII
JBR9TQE652
Created by admin on Sat Dec 16 15:11:06 GMT 2023 , Edited by admin on Sat Dec 16 15:11:06 GMT 2023
PRIMARY