(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

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

Structure Search

SMILES

COC1=C(Cl)C=C(CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4COC5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=C1

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

AVANAFIL METABOLITE M12

Preferred Name

English

(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

Code System Code Type Description

PUBCHEM

165412006

Created by admin on Wed Apr 02 04:35:03 GMT 2025 , Edited by admin on Wed Apr 02 04:35:03 GMT 2025

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FDA UNII

JBR9TQE652

Created by admin on Wed Apr 02 04:35:03 GMT 2025 , Edited by admin on Wed Apr 02 04:35:03 GMT 2025

PRIMARY

PARENT (METABOLITE)