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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24ClN7O5
Molecular Weight 513.934
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Stereo Comments ASSUMED STEREO DID NOT CHANGE UPON METABOLISM

SHOW SMILES / InChI
Structure of 4-((4-((3-CHLORO-4-METHOXY-PHENYL)METHYLAMINO)-5-(PYRIMIDIN-2-YLMETHYLCARBAMOYL)PYRIMIDIN-2-YL)AMINO)-5-OXO-PENTANOIC ACID, (S)

SMILES

COC1=CC=C(CNC2=C(C=NC(N[C@@H](CCC(O)=O)C=O)=N2)C(=O)NCC3=NC=CC=N3)C=C1Cl

InChI

InChIKey=UXWCFSUGORGGDU-HNNXBMFYSA-N
InChI=1S/C23H24ClN7O5/c1-36-18-5-3-14(9-17(18)24)10-27-21-16(22(35)28-12-19-25-7-2-8-26-19)11-29-23(31-21)30-15(13-32)4-6-20(33)34/h2-3,5,7-9,11,13,15H,4,6,10,12H2,1H3,(H,28,35)(H,33,34)(H2,27,29,30,31)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H24ClN7O5
Molecular Weight 513.934
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:34:19 UTC 2023
Edited
by admin
on Sat Dec 16 14:34:19 UTC 2023
Record UNII
VBJ22PS3KX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((4-((3-CHLORO-4-METHOXY-PHENYL)METHYLAMINO)-5-(PYRIMIDIN-2-YLMETHYLCARBAMOYL)PYRIMIDIN-2-YL)AMINO)-5-OXO-PENTANOIC ACID, (S)
Systematic Name English
AVANAFIL METABOLITE M21
Common Name English
Code System Code Type Description
FDA UNII
VBJ22PS3KX
Created by admin on Sat Dec 16 14:34:19 UTC 2023 , Edited by admin on Sat Dec 16 14:34:19 UTC 2023
PRIMARY
PUBCHEM
155928892
Created by admin on Sat Dec 16 14:34:19 UTC 2023 , Edited by admin on Sat Dec 16 14:34:19 UTC 2023
PRIMARY
Related Record Type Details
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