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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H27N5O4S
Molecular Weight 409.503
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES((5-CHLORO-2-PYRIDYL)CARBAMOYL)EDOXABAN CARBAMIC ACID

SMILES

CN(C)C(=O)[C@H]1CC[C@H](NC(O)=O)[C@@H](C1)NC(=O)C2=NC3=C(CN(C)CC3)S2

InChI

InChIKey=YNDCGFMKKPAAPF-GMXVVIOVSA-N
InChI=1S/C18H27N5O4S/c1-22(2)17(25)10-4-5-11(21-18(26)27)13(8-10)19-15(24)16-20-12-6-7-23(3)9-14(12)28-16/h10-11,13,21H,4-9H2,1-3H3,(H,19,24)(H,26,27)/t10-,11-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H27N5O4S
Molecular Weight 409.503
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:16:27 UTC 2023
Edited
by admin
on Sat Dec 16 14:16:27 UTC 2023
Record UNII
O6M2SP32HL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES((5-CHLORO-2-PYRIDYL)CARBAMOYL)EDOXABAN CARBAMIC ACID
Common Name English
EDOXABAN-M1
Common Name English
((1S,2R,4S)-4-(DIMETHYLCARBAMOYL)-2-((5-METHYL-6,7-DIHYDRO-4H-THIAZOLO(5,4-C)PYRIDINE-2-CARBONYL)AMINO)CYCLOHEXYL)CARBAMIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
91595948
Created by admin on Sat Dec 16 14:16:27 UTC 2023 , Edited by admin on Sat Dec 16 14:16:27 UTC 2023
PRIMARY
FDA UNII
O6M2SP32HL
Created by admin on Sat Dec 16 14:16:27 UTC 2023 , Edited by admin on Sat Dec 16 14:16:27 UTC 2023
PRIMARY
Related Record Type Details
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MINOR
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