Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
VBJ22PS3KX
Record Status Validated
Record Version
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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
Created by admin on Wed Aug 04 01:58:46 EDT 2021
Edited by admin on Wed Aug 04 01:58:46 EDT 2021
Structure of 4-((4-((3-CHLORO-4-METHOXY-PHENYL)METHYLAMINO)-5-(PYRIMIDIN-2-YLMETHYLCARBAMOYL)PYRIMIDIN-2-YL)AMINO)-5-OXO-PENTANOIC ACID, (S)

Systematic Names:

  • None recorded

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

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
Name Type Language Details Access References
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 Access References
FDA UNII
VBJ22PS3KX
Created by admin on Wed Aug 04 01:58:46 EDT 2021 , Edited by admin on Wed Aug 04 01:58:46 EDT 2021
PRIMARY
Related Record Type Details Access References
PARENT -> METABOLITE
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 01:58:46 EDT 2021 , Edited by admin on Wed Aug 04 01:58:46 EDT 2021
Created Wed Aug 04 01:58:46 EDT 2021
Created By admin
Last Edited Wed Aug 04 01:58:46 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 https://www.accessdata.fda.gov/drugsatfda_docs/nda/2012/202276Orig1s000ClinPharmR.pdf NDA PUBLIC REVIEW PUBLIC_DOMAIN_RELEASE
2 dump-public-2021-07-22_UPDATED.gsrs BATCH_IMPORT Wed Aug 04 01:58:45 EDT 2021
3 fda_srs SRS PUBLIC_DOMAIN_RELEASE

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