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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28ClN7O4S
Molecular Weight 534.031
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-MONOMETHYL EDOXABAN

SMILES

CNC(=O)[C@H]1CC[C@H](NC(=O)C(=O)NC2=CC=C(Cl)C=N2)[C@@H](C1)NC(=O)C3=NC4=C(CN(C)CC4)S3

InChI

InChIKey=XEESEADVQCJXSF-DUVNUKRYSA-N
InChI=1S/C23H28ClN7O4S/c1-25-19(32)12-3-5-14(27-20(33)21(34)30-18-6-4-13(24)10-26-18)16(9-12)28-22(35)23-29-15-7-8-31(2)11-17(15)36-23/h4,6,10,12,14,16H,3,5,7-9,11H2,1-2H3,(H,25,32)(H,27,33)(H,28,35)(H,26,30,34)/t12-,14-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H28ClN7O4S
Molecular Weight 534.031
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
NAN95BH0RH
Record Status Validated (UNII)
Record Version