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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25ClN6O5S
Molecular Weight 520.989
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D21-2393

SMILES

CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(Cl)C=C4)C(O)=O

InChI

InChIKey=QPYMJNYAASVNAP-CORIIIEPSA-N
InChI=1S/C22H25ClN6O5S/c1-29-7-6-14-16(10-29)35-21(27-14)20(32)26-15-8-11(22(33)34)2-4-13(15)25-18(30)19(31)28-17-5-3-12(23)9-24-17/h3,5,9,11,13,15H,2,4,6-8,10H2,1H3,(H,25,30)(H,26,32)(H,33,34)(H,24,28,31)/t11-,13-,15+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
D21-2393
Common Name English
EDOXABAN M4 METABOLITE
Common Name English
CYCLOHEXANECARBOXYLIC ACID, 4-((2-((5-CHLORO-2-PYRIDINYL)AMINO)-2-OXOACETYL)AMINO)-3-(((4,5,6,7-TETRAHYDRO-5-METHYLTHIAZOLO(5,4-C)PYRIDIN-2-YL)CARBONYL)AMINO)-, (1S,3R,4S)-
Systematic Name English
Code System Code Type Description
CAS
834919-19-6
Created by admin on Sat Dec 16 09:05:51 GMT 2023 , Edited by admin on Sat Dec 16 09:05:51 GMT 2023
PRIMARY
FDA UNII
IV344R972X
Created by admin on Sat Dec 16 09:05:51 GMT 2023 , Edited by admin on Sat Dec 16 09:05:51 GMT 2023
PRIMARY
PUBCHEM
59676899
Created by admin on Sat Dec 16 09:05:51 GMT 2023 , Edited by admin on Sat Dec 16 09:05:51 GMT 2023
PRIMARY