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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31N8
Molecular Weight 455.5779
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 2,3,4,5-TETRAHYDROPYRIDIN-1-IUM-1-YL-PF-04981517

SMILES

CN1N=C(C2=C(N(C)N=C2)C3=CC=C(C)C=C3)C4=C(N=CN=C14)N5CC[C@@H](C5)[N+]6=CCCCC6

InChI

InChIKey=VTWIVIRXGOQIDT-FQEVSTJZSA-N
InChI=1S/C26H31N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,12,15,17,20H,4-6,11,13-14,16H2,1-3H3/q+1/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H31N8
Molecular Weight 455.5779
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 15:41:46 GMT 2023
Edited
by admin
on Sat Dec 16 15:41:46 GMT 2023
Record UNII
Q50T237J3M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,4,5-TETRAHYDROPYRIDIN-1-IUM-1-YL-PF-04981517
Common Name English
1-METHYL-3-(1-METHYL-5-(P-TOLYL)PYRAZOL-4-YL)-4-((3S)-3-(2,3,4,5-TETRAHYDROPYRIDIN-1-IUM-1-YL)PYRROLIDIN-1-YL)PYRAZOLO(3,4-D)PYRIMIDINE
Systematic Name English
PF-04981517 METABOLITE M5
Common Name English
CYP3CIDE METABOLITE M5
Common Name English
2,3,4,5-TETRAHYDROPYRIDIN-1-IUM-1-YL-PF-04981517 ION
Common Name English
Code System Code Type Description
FDA UNII
Q50T237J3M
Created by admin on Sat Dec 16 15:41:46 GMT 2023 , Edited by admin on Sat Dec 16 15:41:46 GMT 2023
PRIMARY
PUBCHEM
118753255
Created by admin on Sat Dec 16 15:41:46 GMT 2023 , Edited by admin on Sat Dec 16 15:41:46 GMT 2023
PRIMARY
Related Record Type Details
IONIC MOIETY
Related Record Type Details
PARENT -> METABOLITE