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Details

Stereochemistry ACHIRAL
Molecular Formula C24H23N5O4
Molecular Weight 445.4705
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DEMETHYL APIXABAN

SMILES

NC(=O)C1=NN(C2=C1CCN(C3=CC=C(C=C3)N4CCCCC4=O)C2=O)C5=CC=C(O)C=C5

InChI

InChIKey=HGHLWAZFIGRAOT-UHFFFAOYSA-N
InChI=1S/C24H23N5O4/c25-23(32)21-19-12-14-28(16-6-4-15(5-7-16)27-13-2-1-3-20(27)31)24(33)22(19)29(26-21)17-8-10-18(30)11-9-17/h4-11,30H,1-3,12-14H2,(H2,25,32)

HIDE SMILES / InChI

Molecular Formula C24H23N5O4
Molecular Weight 445.4705
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:16:50 UTC 2023
Edited
by admin
on Sat Dec 16 05:16:50 UTC 2023
Record UNII
SJ0XFQ18OA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DEMETHYL APIXABAN
Common Name English
APIXABAN METABOLITE (M2)
Common Name English
1-(4-HYDROXYPHENYL)-7-OXO-6-(4-(2-OXOPIPERIDIN-1-YL)PHENYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO(3,4-C)PYRIDINE-3-CARBOXAMIDE
Systematic Name English
APIXABAN (M2)
Common Name English
Code System Code Type Description
FDA UNII
SJ0XFQ18OA
Created by admin on Sat Dec 16 05:16:50 UTC 2023 , Edited by admin on Sat Dec 16 05:16:50 UTC 2023
PRIMARY
EPA CompTox
DTXSID40198415
Created by admin on Sat Dec 16 05:16:50 UTC 2023 , Edited by admin on Sat Dec 16 05:16:50 UTC 2023
PRIMARY
PUBCHEM
10203943
Created by admin on Sat Dec 16 05:16:50 UTC 2023 , Edited by admin on Sat Dec 16 05:16:50 UTC 2023
PRIMARY
CAS
503612-76-8
Created by admin on Sat Dec 16 05:16:50 UTC 2023 , Edited by admin on Sat Dec 16 05:16:50 UTC 2023
PRIMARY
Related Record Type Details
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