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Details

Stereochemistry ACHIRAL
Molecular Formula C24H23N5O7S
Molecular Weight 525.534
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DEMETHYL APIXABAN SULFATE

SMILES

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

InChI

InChIKey=HRIFVOGTDGFZKP-UHFFFAOYSA-N
InChI=1S/C24H23N5O7S/c25-23(31)21-19-12-14-28(16-6-4-15(5-7-16)27-13-2-1-3-20(27)30)24(32)22(19)29(26-21)17-8-10-18(11-9-17)36-37(33,34)35/h4-11H,1-3,12-14H2,(H2,25,31)(H,33,34,35)

HIDE SMILES / InChI

Molecular Formula C24H23N5O7S
Molecular Weight 525.534
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 09:40:49 UTC 2023
Edited
by admin
on Sat Dec 16 09:40:49 UTC 2023
Record UNII
939YP1ZX38
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DEMETHYL APIXABAN SULFATE
Common Name English
APIXABAN (M1)
Common Name English
APIXABAN (METABOLITE M1)
Common Name English
1H-PYRAZOLO(3,4-C)PYRIDINE-3-CARBOXAMIDE, 4,5,6,7-TETRAHYDRO-7-OXO-6-(4-(2-OXO-1-PIPERIDINYL)PHENYL)-1-(4-(SULFOOXY)PHENYL)-
Systematic Name English
Code System Code Type Description
CAS
1118765-14-2
Created by admin on Sat Dec 16 09:40:49 UTC 2023 , Edited by admin on Sat Dec 16 09:40:49 UTC 2023
PRIMARY
FDA UNII
939YP1ZX38
Created by admin on Sat Dec 16 09:40:49 UTC 2023 , Edited by admin on Sat Dec 16 09:40:49 UTC 2023
PRIMARY
PUBCHEM
91667715
Created by admin on Sat Dec 16 09:40:49 UTC 2023 , Edited by admin on Sat Dec 16 09:40:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA